2-methyl-5-methylidenehept-6-en-3-ol

C9H16O — CID 14484349

IUPAC2-methyl-5-methylidenehept-6-en-3-ol
SMILESC=CC(=C)CC(O)C(C)C
InChIInChI=1S/C9H16O/c1-5-8(4)6-9(10)7(2)3/h5,7,9-10H,1,4,6H2,2-3H3
InChIKeyFZFGWIKYJHQOAG-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.14
Rot. Bonds4

About 2-methyl-5-methylidenehept-6-en-3-ol

2-methyl-5-methylidenehept-6-en-3-ol (PubChem CID 14484349) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-methyl-5-methylidenehept-6-en-3-ol.

Molecular Properties

Compound Name2-methyl-5-methylidenehept-6-en-3-ol
PubChem CID14484349
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name2-methyl-5-methylidenehept-6-en-3-ol
SMILESC=CC(=C)CC(O)C(C)C
InChIInChI=1S/C9H16O/c1-5-8(4)6-9(10)7(2)3/h5,7,9-10H,1,4,6H2,2-3H3
InChIKeyFZFGWIKYJHQOAG-UHFFFAOYSA-N
XLogP2.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-6-methylene-7-octen-4-ol
CID 85712
(-)-Ipsenol
CID 93186
2-Methyl-5-hexen-3-ol
CID 141746
4-Ethenyl-2,5-dimethylhexa-1,5-dien-3-ol
CID 21630873
5-Methyl-1-hepten-4-ol
CID 145341
4-Methyl-5-hexen-3-ol
CID 12496406
4-Methyl-6-hepten-3-ol
CID 547700
(3S,4R)-4-ethenyl-2,5-dimethylhexa-1,5-dien-3-ol
CID 162974269
(3R,4S)-4-ethenyl-2,5-dimethylhexa-1,5-dien-3-ol
CID 162974271
(3R,4R)-4-ethenyl-2,5-dimethylhex-5-ene-2,3-diol
CID 162979485
(3S,4S)-4-ethenyl-2,5-dimethylhex-5-ene-2,3-diol
CID 163189878
(3R,4S)-4-methylhex-5-en-3-ol
CID 11789173

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylidenehept-6-en-3-ol?
The IUPAC name of 2-methyl-5-methylidenehept-6-en-3-ol (CID 14484349) is 2-methyl-5-methylidenehept-6-en-3-ol.
What is the SMILES notation for 2-methyl-5-methylidenehept-6-en-3-ol?
The canonical SMILES for 2-methyl-5-methylidenehept-6-en-3-ol is C=CC(=C)CC(O)C(C)C.
What is the InChIKey of 2-methyl-5-methylidenehept-6-en-3-ol?
The InChIKey is FZFGWIKYJHQOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-5-8(4)6-9(10)7(2)3/h5,7,9-10H,1,4,6H2,2-3H3.
What are the key properties of 2-methyl-5-methylidenehept-6-en-3-ol?
2-methyl-5-methylidenehept-6-en-3-ol has a molecular weight of 140.23 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylidenehept-6-en-3-ol is sourced from PubChem (CID 14484349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).