(E)-5-chloro-2-methylpent-2-en-1-ol

C6H11ClO — CID 11094667

IUPAC(E)-5-chloro-2-methylpent-2-en-1-ol
SMILESC/C(=C\CCCl)CO
InChIInChI=1S/C6H11ClO/c1-6(5-8)3-2-4-7/h3,8H,2,4-5H2,1H3/b6-3+
InChIKeyIBKJMMNVBZYBET-ZZXKWVIFSA-N
MW134.61 g/mol
LogP1.55
Rot. Bonds3

About (E)-5-chloro-2-methylpent-2-en-1-ol

(E)-5-chloro-2-methylpent-2-en-1-ol (PubChem CID 11094667) has the molecular formula C6H11ClO and a molecular weight of 134.61 g/mol. Its IUPAC name is (E)-5-chloro-2-methylpent-2-en-1-ol.

Molecular Properties

Compound Name(E)-5-chloro-2-methylpent-2-en-1-ol
PubChem CID11094667
Molecular FormulaC6H11ClO
Molecular Weight134.61 g/mol
Exact Mass134.05
IUPAC Name(E)-5-chloro-2-methylpent-2-en-1-ol
SMILESC/C(=C\CCCl)CO
InChIInChI=1S/C6H11ClO/c1-6(5-8)3-2-4-7/h3,8H,2,4-5H2,1H3/b6-3+
InChIKeyIBKJMMNVBZYBET-ZZXKWVIFSA-N
XLogP1.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.61
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-5-chloro-2-methylpent-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-2-methylbut-2-en-1-ol
CID 71386874
5-bromo-2-methylpent-2-en-1-ol
CID 54337181
(E)-5-bromo-2-methylpent-2-en-1-ol
CID 15258521
1-chloro-4,6-dimethylhept-3-ene
CID 79603963
(6E)-9-chloro-2,6-dimethylnona-2,6-diene
CID 101240427
(10E)-13-chloro-2,6,10-trimethyltrideca-2,6,10-triene
CID 118038499
(5-chloro-2-methylpent-2-enyl)cyclopropane
CID 79604228
2-methylocta-2,6-diene-1,8-diol
CID 57284516
1-chloro-4,8-dimethylnon-3-ene
CID 83163373
1-chloro-8,8,8-trifluoro-4-methyloct-3-ene
CID 115519676
1-chloro-4-(5-chloro-2-methylpent-2-enyl)benzene
CID 79603110
1,1,4-trichlorobut-1-ene
CID 10866623

Frequently Asked Questions

What is the IUPAC name of (E)-5-chloro-2-methylpent-2-en-1-ol?
The IUPAC name of (E)-5-chloro-2-methylpent-2-en-1-ol (CID 11094667) is (E)-5-chloro-2-methylpent-2-en-1-ol.
What is the SMILES notation for (E)-5-chloro-2-methylpent-2-en-1-ol?
The canonical SMILES for (E)-5-chloro-2-methylpent-2-en-1-ol is C/C(=C\CCCl)CO.
What is the InChIKey of (E)-5-chloro-2-methylpent-2-en-1-ol?
The InChIKey is IBKJMMNVBZYBET-ZZXKWVIFSA-N. The full InChI is InChI=1S/C6H11ClO/c1-6(5-8)3-2-4-7/h3,8H,2,4-5H2,1H3/b6-3+.
What are the key properties of (E)-5-chloro-2-methylpent-2-en-1-ol?
(E)-5-chloro-2-methylpent-2-en-1-ol has a molecular weight of 134.61 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-chloro-2-methylpent-2-en-1-ol is sourced from PubChem (CID 11094667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).