(3E)-3,6-dimethylhepta-3,5-dien-1-ol

C9H16O — CID 88803012

IUPAC(3E)-3,6-dimethylhepta-3,5-dien-1-ol
SMILESCC(C)=C/C=C(\C)CCO
InChIInChI=1S/C9H16O/c1-8(2)4-5-9(3)6-7-10/h4-5,10H,6-7H2,1-3H3/b9-5+
InChIKeyGUTHCVYKCBRUBY-WEVVVXLNSA-N
MW140.23 g/mol
LogP2.28
Rot. Bonds3

About (3E)-3,6-dimethylhepta-3,5-dien-1-ol

(3E)-3,6-dimethylhepta-3,5-dien-1-ol (PubChem CID 88803012) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (3E)-3,6-dimethylhepta-3,5-dien-1-ol.

Molecular Properties

Compound Name(3E)-3,6-dimethylhepta-3,5-dien-1-ol
PubChem CID88803012
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(3E)-3,6-dimethylhepta-3,5-dien-1-ol
SMILESCC(C)=C/C=C(\C)CCO
InChIInChI=1S/C9H16O/c1-8(2)4-5-9(3)6-7-10/h4-5,10H,6-7H2,1-3H3/b9-5+
InChIKeyGUTHCVYKCBRUBY-WEVVVXLNSA-N
XLogP2.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-3,6-dimethylhepta-3,5-dien-1-ol?
The IUPAC name of (3E)-3,6-dimethylhepta-3,5-dien-1-ol (CID 88803012) is (3E)-3,6-dimethylhepta-3,5-dien-1-ol.
What is the SMILES notation for (3E)-3,6-dimethylhepta-3,5-dien-1-ol?
The canonical SMILES for (3E)-3,6-dimethylhepta-3,5-dien-1-ol is CC(C)=C/C=C(\C)CCO.
What is the InChIKey of (3E)-3,6-dimethylhepta-3,5-dien-1-ol?
The InChIKey is GUTHCVYKCBRUBY-WEVVVXLNSA-N. The full InChI is InChI=1S/C9H16O/c1-8(2)4-5-9(3)6-7-10/h4-5,10H,6-7H2,1-3H3/b9-5+.
What are the key properties of (3E)-3,6-dimethylhepta-3,5-dien-1-ol?
(3E)-3,6-dimethylhepta-3,5-dien-1-ol has a molecular weight of 140.23 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3,6-dimethylhepta-3,5-dien-1-ol is sourced from PubChem (CID 88803012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).