(2E,4Z)-3-methylhexa-2,4-dien-1-ol

C7H12O — CID 10701800

IUPAC(2E,4Z)-3-methylhexa-2,4-dien-1-ol
SMILESC/C=C\C(C)=C\CO
InChIInChI=1S/C7H12O/c1-3-4-7(2)5-6-8/h3-5,8H,6H2,1-2H3/b4-3-,7-5+
InChIKeyMOEBANQVGCZVQC-QVXLNCAUSA-N
MW112.17 g/mol
LogP1.50
Rot. Bonds2

About (2E,4Z)-3-methylhexa-2,4-dien-1-ol

(2E,4Z)-3-methylhexa-2,4-dien-1-ol (PubChem CID 10701800) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is (2E,4Z)-3-methylhexa-2,4-dien-1-ol.

Molecular Properties

Compound Name(2E,4Z)-3-methylhexa-2,4-dien-1-ol
PubChem CID10701800
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name(2E,4Z)-3-methylhexa-2,4-dien-1-ol
SMILESC/C=C\C(C)=C\CO
InChIInChI=1S/C7H12O/c1-3-4-7(2)5-6-8/h3-5,8H,6H2,1-2H3/b4-3-,7-5+
InChIKeyMOEBANQVGCZVQC-QVXLNCAUSA-N
XLogP1.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.50
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

2-Hexen-1-ol
CID 5318042
2-Penten-1-ol
CID 5364920
(Z)-2-Penten-1-ol
CID 5364919
Pent-2-en-1-ol
CID 15306
2,4-Heptadien-1-ol, (2E,4E)-
CID 5367391
2-Hexen-1-ol, (2Z)-
CID 5324489
Hepta-2,4-dien-1-ol
CID 118487
2,4-Octadien-1-ol, (2E,4E)-
CID 6436488
(Z)-2-Methyl-6-methylene-2,7-octadien-1-ol
CID 5319723
2-Methyl-2-penten-1-ol
CID 5362851
2-aHexen-a1-aol
CID 13577
3-Methyl-2-penten-1-ol
CID 5366209

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-3-methylhexa-2,4-dien-1-ol?
The IUPAC name of (2E,4Z)-3-methylhexa-2,4-dien-1-ol (CID 10701800) is (2E,4Z)-3-methylhexa-2,4-dien-1-ol.
What is the SMILES notation for (2E,4Z)-3-methylhexa-2,4-dien-1-ol?
The canonical SMILES for (2E,4Z)-3-methylhexa-2,4-dien-1-ol is C/C=C\C(C)=C\CO.
What is the InChIKey of (2E,4Z)-3-methylhexa-2,4-dien-1-ol?
The InChIKey is MOEBANQVGCZVQC-QVXLNCAUSA-N. The full InChI is InChI=1S/C7H12O/c1-3-4-7(2)5-6-8/h3-5,8H,6H2,1-2H3/b4-3-,7-5+.
What are the key properties of (2E,4Z)-3-methylhexa-2,4-dien-1-ol?
(2E,4Z)-3-methylhexa-2,4-dien-1-ol has a molecular weight of 112.17 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-3-methylhexa-2,4-dien-1-ol is sourced from PubChem (CID 10701800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).