(E)-4-methylhex-2-en-1-ol

C7H14O — CID 12036147

IUPAC(E)-4-methylhex-2-en-1-ol
SMILESCCC(C)/C=C/CO
InChIInChI=1S/C7H14O/c1-3-7(2)5-4-6-8/h4-5,7-8H,3,6H2,1-2H3/b5-4+
InChIKeyJFYHKJAFXHUHEH-SNAWJCMRSA-N
MW114.19 g/mol
LogP1.58
Rot. Bonds3

About (E)-4-methylhex-2-en-1-ol

(E)-4-methylhex-2-en-1-ol (PubChem CID 12036147) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is (E)-4-methylhex-2-en-1-ol.

Molecular Properties

Compound Name(E)-4-methylhex-2-en-1-ol
PubChem CID12036147
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name(E)-4-methylhex-2-en-1-ol
SMILESCCC(C)/C=C/CO
InChIInChI=1S/C7H14O/c1-3-7(2)5-4-6-8/h4-5,7-8H,3,6H2,1-2H3/b5-4+
InChIKeyJFYHKJAFXHUHEH-SNAWJCMRSA-N
XLogP1.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.58
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

2-Hexen-1-ol
CID 5318042
trans-2,cis-6-Nonadienol
CID 5362833
2-Penten-1-ol
CID 5364920
(Z)-2-Penten-1-ol
CID 5364919
Pent-2-en-1-ol
CID 15306
2-Heptenol
CID 5318017
2,6-Nonadien-1-ol
CID 34134
2-Hexen-1-ol, (2Z)-
CID 5324489
Cucumber alcohol
CID 5320191
2-aHexen-a1-aol
CID 13577
3-Methyl-2-penten-1-ol
CID 5366209
Hept-3-en-2-ol
CID 5366262

Frequently Asked Questions

What is the IUPAC name of (E)-4-methylhex-2-en-1-ol?
The IUPAC name of (E)-4-methylhex-2-en-1-ol (CID 12036147) is (E)-4-methylhex-2-en-1-ol.
What is the SMILES notation for (E)-4-methylhex-2-en-1-ol?
The canonical SMILES for (E)-4-methylhex-2-en-1-ol is CCC(C)/C=C/CO.
What is the InChIKey of (E)-4-methylhex-2-en-1-ol?
The InChIKey is JFYHKJAFXHUHEH-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H14O/c1-3-7(2)5-4-6-8/h4-5,7-8H,3,6H2,1-2H3/b5-4+.
What are the key properties of (E)-4-methylhex-2-en-1-ol?
(E)-4-methylhex-2-en-1-ol has a molecular weight of 114.19 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methylhex-2-en-1-ol is sourced from PubChem (CID 12036147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).