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

C9H16O — CID 10441786

IUPAC(3E)-5,5-dimethylhepta-3,6-dien-1-ol
SMILESC=CC(C)(C)/C=C/CCO
InChIInChI=1S/C9H16O/c1-4-9(2,3)7-5-6-8-10/h4-5,7,10H,1,6,8H2,2-3H3/b7-5+
InChIKeyWPYUGGIFYHNSRD-FNORWQNLSA-N
MW140.23 g/mol
LogP2.14
Rot. Bonds4

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

(3E)-5,5-dimethylhepta-3,6-dien-1-ol (PubChem CID 10441786) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (3E)-5,5-dimethylhepta-3,6-dien-1-ol.

Molecular Properties

Compound Name(3E)-5,5-dimethylhepta-3,6-dien-1-ol
PubChem CID10441786
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(3E)-5,5-dimethylhepta-3,6-dien-1-ol
SMILESC=CC(C)(C)/C=C/CCO
InChIInChI=1S/C9H16O/c1-4-9(2,3)7-5-6-8-10/h4-5,7,10H,1,6,8H2,2-3H3/b7-5+
InChIKeyWPYUGGIFYHNSRD-FNORWQNLSA-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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Related Compounds

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CID 59068889

Frequently Asked Questions

What is the IUPAC name of (3E)-5,5-dimethylhepta-3,6-dien-1-ol?
The IUPAC name of (3E)-5,5-dimethylhepta-3,6-dien-1-ol (CID 10441786) is (3E)-5,5-dimethylhepta-3,6-dien-1-ol.
What is the SMILES notation for (3E)-5,5-dimethylhepta-3,6-dien-1-ol?
The canonical SMILES for (3E)-5,5-dimethylhepta-3,6-dien-1-ol is C=CC(C)(C)/C=C/CCO.
What is the InChIKey of (3E)-5,5-dimethylhepta-3,6-dien-1-ol?
The InChIKey is WPYUGGIFYHNSRD-FNORWQNLSA-N. The full InChI is InChI=1S/C9H16O/c1-4-9(2,3)7-5-6-8-10/h4-5,7,10H,1,6,8H2,2-3H3/b7-5+.
What are the key properties of (3E)-5,5-dimethylhepta-3,6-dien-1-ol?
(3E)-5,5-dimethylhepta-3,6-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 (3E)-5,5-dimethylhepta-3,6-dien-1-ol is sourced from PubChem (CID 10441786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).