(2Z)-7-methylocta-2,6-dien-1-ol

C9H16O — CID 134976402

IUPAC(2Z)-7-methylocta-2,6-dien-1-ol
SMILESCC(C)=CCC/C=C\CO
InChIInChI=1S/C9H16O/c1-9(2)7-5-3-4-6-8-10/h4,6-7,10H,3,5,8H2,1-2H3/b6-4-
InChIKeyFUUZNSGWCURMCC-XQRVVYSFSA-N
MW140.23 g/mol
LogP2.28
Rot. Bonds4

About (2Z)-7-methylocta-2,6-dien-1-ol

(2Z)-7-methylocta-2,6-dien-1-ol (PubChem CID 134976402) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (2Z)-7-methylocta-2,6-dien-1-ol.

Molecular Properties

Compound Name(2Z)-7-methylocta-2,6-dien-1-ol
PubChem CID134976402
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(2Z)-7-methylocta-2,6-dien-1-ol
SMILESCC(C)=CCC/C=C\CO
InChIInChI=1S/C9H16O/c1-9(2)7-5-3-4-6-8-10/h4,6-7,10H,3,5,8H2,1-2H3/b6-4-
InChIKeyFUUZNSGWCURMCC-XQRVVYSFSA-N
XLogP2.28
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 ≤ 52.28
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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Frequently Asked Questions

What is the IUPAC name of (2Z)-7-methylocta-2,6-dien-1-ol?
The IUPAC name of (2Z)-7-methylocta-2,6-dien-1-ol (CID 134976402) is (2Z)-7-methylocta-2,6-dien-1-ol.
What is the SMILES notation for (2Z)-7-methylocta-2,6-dien-1-ol?
The canonical SMILES for (2Z)-7-methylocta-2,6-dien-1-ol is CC(C)=CCC/C=C\CO.
What is the InChIKey of (2Z)-7-methylocta-2,6-dien-1-ol?
The InChIKey is FUUZNSGWCURMCC-XQRVVYSFSA-N. The full InChI is InChI=1S/C9H16O/c1-9(2)7-5-3-4-6-8-10/h4,6-7,10H,3,5,8H2,1-2H3/b6-4-.
What are the key properties of (2Z)-7-methylocta-2,6-dien-1-ol?
(2Z)-7-methylocta-2,6-dien-1-ol has a molecular weight of 140.23 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-7-methylocta-2,6-dien-1-ol is sourced from PubChem (CID 134976402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).