(4E)-7-methylocta-4,6-dien-1-ol

C9H16O — CID 14250388

IUPAC(4E)-7-methylocta-4,6-dien-1-ol
SMILESCC(C)=C/C=C/CCCO
InChIInChI=1S/C9H16O/c1-9(2)7-5-3-4-6-8-10/h3,5,7,10H,4,6,8H2,1-2H3/b5-3+
InChIKeyUWZGVOMHGQLYNN-HWKANZROSA-N
MW140.23 g/mol
LogP2.28
Rot. Bonds4

About (4E)-7-methylocta-4,6-dien-1-ol

(4E)-7-methylocta-4,6-dien-1-ol (PubChem CID 14250388) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (4E)-7-methylocta-4,6-dien-1-ol.

Molecular Properties

Compound Name(4E)-7-methylocta-4,6-dien-1-ol
PubChem CID14250388
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(4E)-7-methylocta-4,6-dien-1-ol
SMILESCC(C)=C/C=C/CCCO
InChIInChI=1S/C9H16O/c1-9(2)7-5-3-4-6-8-10/h3,5,7,10H,4,6,8H2,1-2H3/b5-3+
InChIKeyUWZGVOMHGQLYNN-HWKANZROSA-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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(4E,8E)-2-methyldeca-2,4,8-triene
CID 173142496
6-methylhepta-3,5-dien-1-amine
CID 79592244
(4E,6Z)-nona-4,6-dien-1-ol
CID 11286515
(4E,9E)-2,4,12-trimethyltrideca-2,4,9,11-tetraene
CID 10420952
(4Z)-9-methyldeca-4,8-dien-1-ol
CID 11116454
9-methyldeca-4,8-dien-1-ol
CID 71361046
2-methyloctatetraconta-2,4,6-triene
CID 165175383
(4E,6E)-pentacosa-4,6-dien-1-ol
CID 118460624
(4E,6Z)-hexadeca-4,6,11-trien-1-ol
CID 134533002
(Z)-hept-4-en-1-ol
CID 5367536
(5E,7E)-trideca-5,7-dien-1-ol
CID 10943429
2,7-dimethylocta-4,6-dien-2-ol
CID 527419

Frequently Asked Questions

What is the IUPAC name of (4E)-7-methylocta-4,6-dien-1-ol?
The IUPAC name of (4E)-7-methylocta-4,6-dien-1-ol (CID 14250388) is (4E)-7-methylocta-4,6-dien-1-ol.
What is the SMILES notation for (4E)-7-methylocta-4,6-dien-1-ol?
The canonical SMILES for (4E)-7-methylocta-4,6-dien-1-ol is CC(C)=C/C=C/CCCO.
What is the InChIKey of (4E)-7-methylocta-4,6-dien-1-ol?
The InChIKey is UWZGVOMHGQLYNN-HWKANZROSA-N. The full InChI is InChI=1S/C9H16O/c1-9(2)7-5-3-4-6-8-10/h3,5,7,10H,4,6,8H2,1-2H3/b5-3+.
What are the key properties of (4E)-7-methylocta-4,6-dien-1-ol?
(4E)-7-methylocta-4,6-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 (4E)-7-methylocta-4,6-dien-1-ol is sourced from PubChem (CID 14250388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).