3050432
  -OEChem-05122420592D

 32 32  0     1  0  0  0  0  0999 V2000
    3.7320    0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.1900    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0000   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -0.7274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -1.4177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -1.4177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -0.7274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -2.2023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -2.8926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -2.8926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -2.2023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -3.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -3.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    0.7977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    0.1074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
  2 13  2  0  0  0  0
  3 13  1  0  0  0  0
  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 14  1  0  0  0  0
  5  8  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6  9  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 11  1  0  0  0  0
  7 19  1  0  0  0  0
  8 10  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 12  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
3050432

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
164

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceByMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAAAAAAAHgAQAAAADRSggAICCABABAAIAAAAGAAAAAAAAAAAAAAAAAEAAAIAAAAIAAAEAAAAAAGAwKAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-cyclohexylpropyl carbamate

> <PUBCHEM_IUPAC_CAS_NAME>
carbamic acid 1-cyclohexylpropyl ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-cyclohexylpropyl carbamate

> <PUBCHEM_IUPAC_NAME>
1-cyclohexylpropyl carbamate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-cyclohexylpropyl carbamate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
carbamic acid 1-cyclohexylpropyl ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H19NO2/c1-2-9(13-10(11)12)8-6-4-3-5-7-8/h8-9H,2-7H2,1H3,(H2,11,12)

> <PUBCHEM_IUPAC_INCHIKEY>
IGISNRIWPJVXDB-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.9

> <PUBCHEM_EXACT_MASS>
185.141578849

> <PUBCHEM_MOLECULAR_FORMULA>
C10H19NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
185.26

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCC(C1CCCCC1)OC(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCC(C1CCCCC1)OC(=O)N

> <PUBCHEM_CACTVS_TPSA>
52.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
185.141578849

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
13

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
7  11  3

$$$$