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'}

Analyze 3,3-dichloropent-4-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

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).