(2E)-2,4-dimethylhepta-2,6-dien-1-ol

C9H16O — CID 5363655

IUPAC(2E)-2,4-dimethylhepta-2,6-dien-1-ol
SMILESC=CCC(C)/C=C(\C)CO
InChIInChI=1S/C9H16O/c1-4-5-8(2)6-9(3)7-10/h4,6,8,10H,1,5,7H2,2-3H3/b9-6+
InChIKeyYBRHBMHQQIEOOL-RMKNXTFCSA-N
MW140.23 g/mol
LogP2.14
Rot. Bonds4

About (2E)-2,4-dimethylhepta-2,6-dien-1-ol

(2E)-2,4-dimethylhepta-2,6-dien-1-ol (PubChem CID 5363655) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (2E)-2,4-dimethylhepta-2,6-dien-1-ol.

Molecular Properties

Compound Name(2E)-2,4-dimethylhepta-2,6-dien-1-ol
PubChem CID5363655
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(2E)-2,4-dimethylhepta-2,6-dien-1-ol
SMILESC=CCC(C)/C=C(\C)CO
InChIInChI=1S/C9H16O/c1-4-5-8(2)6-9(3)7-10/h4,6,8,10H,1,5,7H2,2-3H3/b9-6+
InChIKeyYBRHBMHQQIEOOL-RMKNXTFCSA-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 (2E)-2,4-dimethylhepta-2,6-dien-1-ol?
The IUPAC name of (2E)-2,4-dimethylhepta-2,6-dien-1-ol (CID 5363655) is (2E)-2,4-dimethylhepta-2,6-dien-1-ol.
What is the SMILES notation for (2E)-2,4-dimethylhepta-2,6-dien-1-ol?
The canonical SMILES for (2E)-2,4-dimethylhepta-2,6-dien-1-ol is C=CCC(C)/C=C(\C)CO.
What is the InChIKey of (2E)-2,4-dimethylhepta-2,6-dien-1-ol?
The InChIKey is YBRHBMHQQIEOOL-RMKNXTFCSA-N. The full InChI is InChI=1S/C9H16O/c1-4-5-8(2)6-9(3)7-10/h4,6,8,10H,1,5,7H2,2-3H3/b9-6+.
What are the key properties of (2E)-2,4-dimethylhepta-2,6-dien-1-ol?
(2E)-2,4-dimethylhepta-2,6-dien-1-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 (2E)-2,4-dimethylhepta-2,6-dien-1-ol is sourced from PubChem (CID 5363655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).