3,5-dimethylhepta-1,6-dien-4-ol

C9H16O — CID 537207

IUPAC3,5-dimethylhepta-1,6-dien-4-ol
SMILESC=CC(C)C(O)C(C)C=C
InChIInChI=1S/C9H16O/c1-5-7(3)9(10)8(4)6-2/h5-10H,1-2H2,3-4H3
InChIKeyKWGWLNMCSACDHC-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.99
Rot. Bonds4

About 3,5-dimethylhepta-1,6-dien-4-ol

3,5-dimethylhepta-1,6-dien-4-ol (PubChem CID 537207) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 3,5-dimethylhepta-1,6-dien-4-ol.

Molecular Properties

Compound Name3,5-dimethylhepta-1,6-dien-4-ol
PubChem CID537207
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name3,5-dimethylhepta-1,6-dien-4-ol
SMILESC=CC(C)C(O)C(C)C=C
InChIInChI=1S/C9H16O/c1-5-7(3)9(10)8(4)6-2/h5-10H,1-2H2,3-4H3
InChIKeyKWGWLNMCSACDHC-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethylhepta-1,6-dien-4-ol?
The IUPAC name of 3,5-dimethylhepta-1,6-dien-4-ol (CID 537207) is 3,5-dimethylhepta-1,6-dien-4-ol.
What is the SMILES notation for 3,5-dimethylhepta-1,6-dien-4-ol?
The canonical SMILES for 3,5-dimethylhepta-1,6-dien-4-ol is C=CC(C)C(O)C(C)C=C.
What is the InChIKey of 3,5-dimethylhepta-1,6-dien-4-ol?
The InChIKey is KWGWLNMCSACDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-5-7(3)9(10)8(4)6-2/h5-10H,1-2H2,3-4H3.
What are the key properties of 3,5-dimethylhepta-1,6-dien-4-ol?
3,5-dimethylhepta-1,6-dien-4-ol has a molecular weight of 140.23 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethylhepta-1,6-dien-4-ol is sourced from PubChem (CID 537207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).