3,3-dichloropent-4-en-1-ol

C5H8Cl2O — CID 130124779

IUPAC3,3-dichloropent-4-en-1-ol
SMILESC=CC(Cl)(Cl)CCO
InChIInChI=1S/C5H8Cl2O/c1-2-5(6,7)3-4-8/h2,8H,1,3-4H2
InChIKeySRRSDWWZECGLBC-UHFFFAOYSA-N
MW155.02 g/mol
LogP1.73
Rot. Bonds3

About 3,3-dichloropent-4-en-1-ol

3,3-dichloropent-4-en-1-ol (PubChem CID 130124779) has the molecular formula C5H8Cl2O and a molecular weight of 155.02 g/mol. Its IUPAC name is 3,3-dichloropent-4-en-1-ol.

Molecular Properties

Compound Name3,3-dichloropent-4-en-1-ol
PubChem CID130124779
Molecular FormulaC5H8Cl2O
Molecular Weight155.02 g/mol
Exact Mass154.00
IUPAC Name3,3-dichloropent-4-en-1-ol
SMILESC=CC(Cl)(Cl)CCO
InChIInChI=1S/C5H8Cl2O/c1-2-5(6,7)3-4-8/h2,8H,1,3-4H2
InChIKeySRRSDWWZECGLBC-UHFFFAOYSA-N
XLogP1.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.02
LogP ≤ 51.73
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'}

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Related Compounds

3-ethenyl-3-(2-hydroxyethyl)pentane-1,5-diol
CID 160533031
3-ethenylpent-4-ene-1,3-diol
CID 57295100
(dichloromethane);3,3-dichloropentane-1,5-diol
CID 173053868
3-amino-3-chloropentane-1,5-diol
CID 88510587
2-ethenyl-2-(hydroxymethyl)-3,3-dimethylpentane-1,5-diol
CID 88651000
3-ethenyl-3-fluoro-4-methylpent-4-en-1-ol
CID 163674820
3,3,3-trichloroprop-1-ene
CID 157415991
bis(ethane-1,2-diol);ethene;tetrakis(prop-1-ene)
CID 173186866
1,1-dichlorobutane-1,4-diol;ethenoxyethene
CID 174993228
ethane-1,2-diol;ethene
CID 173008703
(ethane-1,2-diol);ethene
CID 173372663
3,3-dichloro-5-hydroxypentan-2-one
CID 11105805

Frequently Asked Questions

What is the IUPAC name of 3,3-dichloropent-4-en-1-ol?
The IUPAC name of 3,3-dichloropent-4-en-1-ol (CID 130124779) is 3,3-dichloropent-4-en-1-ol.
What is the SMILES notation for 3,3-dichloropent-4-en-1-ol?
The canonical SMILES for 3,3-dichloropent-4-en-1-ol is C=CC(Cl)(Cl)CCO.
What is the InChIKey of 3,3-dichloropent-4-en-1-ol?
The InChIKey is SRRSDWWZECGLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8Cl2O/c1-2-5(6,7)3-4-8/h2,8H,1,3-4H2.
What are the key properties of 3,3-dichloropent-4-en-1-ol?
3,3-dichloropent-4-en-1-ol has a molecular weight of 155.02 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dichloropent-4-en-1-ol is sourced from PubChem (CID 130124779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).