(3E,5E)-5-methylhepta-3,5-dien-1-ol

C8H14O — CID 11378495

IUPAC(3E,5E)-5-methylhepta-3,5-dien-1-ol
SMILESC/C=C(C)/C=C/CCO
InChIInChI=1S/C8H14O/c1-3-8(2)6-4-5-7-9/h3-4,6,9H,5,7H2,1-2H3/b6-4+,8-3+
InChIKeyHFEMKCDBEJZPCG-APHNTDFBSA-N
MW126.20 g/mol
LogP1.89
Rot. Bonds3

About (3E,5E)-5-methylhepta-3,5-dien-1-ol

(3E,5E)-5-methylhepta-3,5-dien-1-ol (PubChem CID 11378495) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (3E,5E)-5-methylhepta-3,5-dien-1-ol.

Molecular Properties

Compound Name(3E,5E)-5-methylhepta-3,5-dien-1-ol
PubChem CID11378495
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(3E,5E)-5-methylhepta-3,5-dien-1-ol
SMILESC/C=C(C)/C=C/CCO
InChIInChI=1S/C8H14O/c1-3-8(2)6-4-5-7-9/h3-4,6,9H,5,7H2,1-2H3/b6-4+,8-3+
InChIKeyHFEMKCDBEJZPCG-APHNTDFBSA-N
XLogP1.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Hexenol
CID 5281167
trans-3-Hexen-1-ol
CID 5284503
3,6-Nonadien-1-ol, (3E,6Z)-
CID 44630408
3,6-Nonadien-1-ol
CID 42011
3,6-Nonadien-1-ol, (3Z,6Z)-
CID 6434541
3-Penten-1-ol
CID 69814
3,5-Octadien-1-ol, (3Z,5E)-
CID 59164020
3-Hexen-1-ol
CID 10993
3-Penten-1-ol, (3E)-
CID 510370
4-Methylpent-3-en-1-ol
CID 136582
Isogeraniol
CID 5362876
(3Z)-3-Penten-1-ol
CID 5364628

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-5-methylhepta-3,5-dien-1-ol?
The IUPAC name of (3E,5E)-5-methylhepta-3,5-dien-1-ol (CID 11378495) is (3E,5E)-5-methylhepta-3,5-dien-1-ol.
What is the SMILES notation for (3E,5E)-5-methylhepta-3,5-dien-1-ol?
The canonical SMILES for (3E,5E)-5-methylhepta-3,5-dien-1-ol is C/C=C(C)/C=C/CCO.
What is the InChIKey of (3E,5E)-5-methylhepta-3,5-dien-1-ol?
The InChIKey is HFEMKCDBEJZPCG-APHNTDFBSA-N. The full InChI is InChI=1S/C8H14O/c1-3-8(2)6-4-5-7-9/h3-4,6,9H,5,7H2,1-2H3/b6-4+,8-3+.
What are the key properties of (3E,5E)-5-methylhepta-3,5-dien-1-ol?
(3E,5E)-5-methylhepta-3,5-dien-1-ol has a molecular weight of 126.20 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-5-methylhepta-3,5-dien-1-ol is sourced from PubChem (CID 11378495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).