Neoisoisopulegol

Neoisoisopulegol
Compound Structure:
Synonyms: (1R,2R,5R)-5-methyl-2-(prop-1-en-2-yl)cyclohexanol; Neoisoisopulegol; Neo-isoisopulegol
Compound ID: NMPC-1299
PubChem ID:

7057941
Molecular Formula: C10H18O
Canonical SMILES: CC1CCC(C(C1)O)C(=C)C
InChIKey: ZYTMANIQRDEHIO-OPRDCNLKSA-N
About the compound:
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

154.25 g/mol

XLogP3-AA

3

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

1

Exact Mass

154.135765193 g/mol

Monoisotopic Mass

154.135765193 g/mol

Topological Polar Surface Area

20.2Ų

Heavy Atom Count

11

Formal Charge

0

Complexity

151

Isotope Atom Count

0

Defined Atom Stereocenter Count

3

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem
Source Species: Pteris togoensis
Download SDF