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

C9H16O — CID 12540919

IUPAC4,4-dimethylhepta-1,6-dien-3-ol
SMILESC=CCC(C)(C)C(O)C=C
InChIInChI=1S/C9H16O/c1-5-7-9(3,4)8(10)6-2/h5-6,8,10H,1-2,7H2,3-4H3
InChIKeyAHLGILRDSPQKFQ-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.14
Rot. Bonds4

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

4,4-dimethylhepta-1,6-dien-3-ol (PubChem CID 12540919) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 4,4-dimethylhepta-1,6-dien-3-ol.

Molecular Properties

Compound Name4,4-dimethylhepta-1,6-dien-3-ol
PubChem CID12540919
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name4,4-dimethylhepta-1,6-dien-3-ol
SMILESC=CCC(C)(C)C(O)C=C
InChIInChI=1S/C9H16O/c1-5-7-9(3,4)8(10)6-2/h5-6,8,10H,1-2,7H2,3-4H3
InChIKeyAHLGILRDSPQKFQ-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
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 4,4-dimethylhepta-1,6-dien-3-ol?
The IUPAC name of 4,4-dimethylhepta-1,6-dien-3-ol (CID 12540919) is 4,4-dimethylhepta-1,6-dien-3-ol.
What is the SMILES notation for 4,4-dimethylhepta-1,6-dien-3-ol?
The canonical SMILES for 4,4-dimethylhepta-1,6-dien-3-ol is C=CCC(C)(C)C(O)C=C.
What is the InChIKey of 4,4-dimethylhepta-1,6-dien-3-ol?
The InChIKey is AHLGILRDSPQKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-5-7-9(3,4)8(10)6-2/h5-6,8,10H,1-2,7H2,3-4H3.
What are the key properties of 4,4-dimethylhepta-1,6-dien-3-ol?
4,4-dimethylhepta-1,6-dien-3-ol has a molecular weight of 140.23 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylhepta-1,6-dien-3-ol is sourced from PubChem (CID 12540919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).