CID 39240802
PubChem CID
39240802
Structure
Molecular Formula
Status
Non-live
Molecular Weight
204.31 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
(S)-cyclopentyl-(2,5-dimethylphenyl)methanol
InChI=1S/C14H20O/c1-10-7-8-11(2)13(9-10)14(15)12-5-3-4-6-12/h7-9,12,14-15H,3-6H2,1-2H3/t14-/m0/s1
VKGVTAZFZHYADK-AWEZNQCLSA-N
CC1=CC(=C(C=C1)C)[C@H](C2CCCC2)O
C14H20O
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
204.31 g/mol
Property Name
XLogP3-AA
Property Value
3.6
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
1
Property Name
Rotatable Bond Count
Property Value
2
Property Name
Exact Mass
Property Value
204.151415257 g/mol
Property Name
Monoisotopic Mass
Property Value
204.151415257 g/mol
Property Name
Topological Polar Surface Area
Property Value
20.2 A^2
Property Name
Heavy Atom Count
Property Value
15
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
196
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
Old substance
CONTENTS