ipsenol

Compound Structure:

Synonyms:

(4S)-2-methyl-6-methylideneoct-7-en-4-ol; Ipsenol; (S)-ipsenol; S-ipsenol; (+)-ipsenol; (S)-(-)-Ipsenol; (S)-2-methyl-6-methyleneoct-7-en-4-ol; (4S)-2-methyl-6-methylideneoct-7-en-4-ol; (4S)-(-)-Ipsenol; 2-Methyl-6-methylene-7-octen-4S-ol

Compound ID:

NMPC-1144

PubChem ID:

93186

Molecular Formula:

C10H18O

Canonical SMILES:

CC(C)CC(CC(=C)C=C)O

InChIKey:

RHAXCOKCIAVHPB-JTQLQIEISA-N

About the compound:

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	154.25 g/mol
XLogP3-AA	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Exact Mass	154.135765193 g/mol
Monoisotopic Mass	154.135765193 g/mol
Topological Polar Surface Area	20.2Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	136
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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:

Araucaria cunninghamii
Tagetes erecta

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