(Z)-1,2-dichloro-3-(chloromethyl)-4,4-dimethylpent-1-en-3-ol

C8H13Cl3O — CID 19804303

IUPAC(Z)-1,2-dichloro-3-(chloromethyl)-4,4-dimethylpent-1-en-3-ol
SMILESCC(C)(C)C(O)(CCl)/C(Cl)=C/Cl
InChIInChI=1S/C8H13Cl3O/c1-7(2,3)8(12,5-10)6(11)4-9/h4,12H,5H2,1-3H3/b6-4-
InChIKeyCOMDBCXPUKKLCV-XQRVVYSFSA-N
MW231.55 g/mol
LogP3.32
Rot. Bonds2

About (Z)-1,2-dichloro-3-(chloromethyl)-4,4-dimethylpent-1-en-3-ol

(Z)-1,2-dichloro-3-(chloromethyl)-4,4-dimethylpent-1-en-3-ol (PubChem CID 19804303) has the molecular formula C8H13Cl3O and a molecular weight of 231.55 g/mol. Its IUPAC name is (Z)-1,2-dichloro-3-(chloromethyl)-4,4-dimethylpent-1-en-3-ol.

Molecular Properties

Compound Name(Z)-1,2-dichloro-3-(chloromethyl)-4,4-dimethylpent-1-en-3-ol
PubChem CID19804303
Molecular FormulaC8H13Cl3O
Molecular Weight231.55 g/mol
Exact Mass230.00
IUPAC Name(Z)-1,2-dichloro-3-(chloromethyl)-4,4-dimethylpent-1-en-3-ol
SMILESCC(C)(C)C(O)(CCl)/C(Cl)=C/Cl
InChIInChI=1S/C8H13Cl3O/c1-7(2,3)8(12,5-10)6(11)4-9/h4,12H,5H2,1-3H3/b6-4-
InChIKeyCOMDBCXPUKKLCV-XQRVVYSFSA-N
XLogP3.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.55
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-1,2-dichloro-3-(chloromethyl)-4,4-dimethylpent-1-en-3-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 (Z)-1,2-dichloro-3-(chloromethyl)-4,4-dimethylpent-1-en-3-ol?
The IUPAC name of (Z)-1,2-dichloro-3-(chloromethyl)-4,4-dimethylpent-1-en-3-ol (CID 19804303) is (Z)-1,2-dichloro-3-(chloromethyl)-4,4-dimethylpent-1-en-3-ol.
What is the SMILES notation for (Z)-1,2-dichloro-3-(chloromethyl)-4,4-dimethylpent-1-en-3-ol?
The canonical SMILES for (Z)-1,2-dichloro-3-(chloromethyl)-4,4-dimethylpent-1-en-3-ol is CC(C)(C)C(O)(CCl)/C(Cl)=C/Cl.
What is the InChIKey of (Z)-1,2-dichloro-3-(chloromethyl)-4,4-dimethylpent-1-en-3-ol?
The InChIKey is COMDBCXPUKKLCV-XQRVVYSFSA-N. The full InChI is InChI=1S/C8H13Cl3O/c1-7(2,3)8(12,5-10)6(11)4-9/h4,12H,5H2,1-3H3/b6-4-.
What are the key properties of (Z)-1,2-dichloro-3-(chloromethyl)-4,4-dimethylpent-1-en-3-ol?
(Z)-1,2-dichloro-3-(chloromethyl)-4,4-dimethylpent-1-en-3-ol has a molecular weight of 231.55 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,2-dichloro-3-(chloromethyl)-4,4-dimethylpent-1-en-3-ol is sourced from PubChem (CID 19804303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).