CID 18370010
PubChem CID
18370010
Structure
Molecular Formula
Status
Non-live
Molecular Weight
143.25 g/mol
Dates
- Create:2007-12-04
Chemical Structure Depiction
2-methyloctan-1-olate
InChI=1S/C9H19O/c1-3-4-5-6-7-9(2)8-10/h9H,3-8H2,1-2H3/q-1
IODHXQPISXRSCR-UHFFFAOYSA-N
CCCCCCC(C)C[O-]
C9H19O-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
143.25 g/mol
Property Name
XLogP3-AA
Property Value
4.5
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
1
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
143.143590225 g/mol
Property Name
Monoisotopic Mass
Property Value
143.143590225 g/mol
Property Name
Topological Polar Surface Area
Property Value
23.1 A^2
Property Name
Heavy Atom Count
Property Value
10
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
61.7
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
1
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