(3Z)-3-methylocta-3,7-dien-1-ol

C9H16O — CID 14691516

IUPAC(3Z)-3-methylocta-3,7-dien-1-ol
SMILESC=CCC/C=C(/C)CCO
InChIInChI=1S/C9H16O/c1-3-4-5-6-9(2)7-8-10/h3,6,10H,1,4-5,7-8H2,2H3/b9-6-
InChIKeyQEIPTVLSIQSFHO-TWGQIWQCSA-N
MW140.23 g/mol
LogP2.28
Rot. Bonds5

About (3Z)-3-methylocta-3,7-dien-1-ol

(3Z)-3-methylocta-3,7-dien-1-ol (PubChem CID 14691516) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (3Z)-3-methylocta-3,7-dien-1-ol.

Molecular Properties

Compound Name(3Z)-3-methylocta-3,7-dien-1-ol
PubChem CID14691516
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(3Z)-3-methylocta-3,7-dien-1-ol
SMILESC=CCC/C=C(/C)CCO
InChIInChI=1S/C9H16O/c1-3-4-5-6-9(2)7-8-10/h3,6,10H,1,4-5,7-8H2,2H3/b9-6-
InChIKeyQEIPTVLSIQSFHO-TWGQIWQCSA-N
XLogP2.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-Methyl-5-hepten-2-ol
CID 20745
5-Decen-1-ol, (5E)-
CID 5283292
3-Nonen-1-ol, (3E)-
CID 5352807
3-Octen-1-ol, (3Z)-
CID 5364519
(-)-Lavandulol
CID 5464156
3-Nonen-1-ol, (3Z)-
CID 5364631
4-Hepten-1-ol, (4Z)-
CID 5367536
3,6-Nonadien-1-ol, (3E,6Z)-
CID 44630408
Lavandulol, (+-)-
CID 94060
3,6-Nonadien-1-ol
CID 42011
5-Octen-1-ol, (5Z)-
CID 5352837
3,6-Nonadien-1-ol, (3Z,6Z)-
CID 6434541

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-methylocta-3,7-dien-1-ol?
The IUPAC name of (3Z)-3-methylocta-3,7-dien-1-ol (CID 14691516) is (3Z)-3-methylocta-3,7-dien-1-ol.
What is the SMILES notation for (3Z)-3-methylocta-3,7-dien-1-ol?
The canonical SMILES for (3Z)-3-methylocta-3,7-dien-1-ol is C=CCC/C=C(/C)CCO.
What is the InChIKey of (3Z)-3-methylocta-3,7-dien-1-ol?
The InChIKey is QEIPTVLSIQSFHO-TWGQIWQCSA-N. The full InChI is InChI=1S/C9H16O/c1-3-4-5-6-9(2)7-8-10/h3,6,10H,1,4-5,7-8H2,2H3/b9-6-.
What are the key properties of (3Z)-3-methylocta-3,7-dien-1-ol?
(3Z)-3-methylocta-3,7-dien-1-ol has a molecular weight of 140.23 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-methylocta-3,7-dien-1-ol is sourced from PubChem (CID 14691516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).