2,3,5-trichloro-4,4-dimethoxy-5-prop-2-enylcyclopent-2-en-1-one

C10H11Cl3O3 — CID 10935019

IUPAC2,3,5-trichloro-4,4-dimethoxy-5-prop-2-enylcyclopent-2-en-1-one
SMILESC=CCC1(Cl)C(=O)C(Cl)=C(Cl)C1(OC)OC
InChIInChI=1S/C10H11Cl3O3/c1-4-5-9(13)8(14)6(11)7(12)10(9,15-2)16-3/h4H,1,5H2,2-3H3
InChIKeyKKSPRMWQDCCVKC-UHFFFAOYSA-N
MW285.55 g/mol
LogP2.80
Rot. Bonds4

About 2,3,5-trichloro-4,4-dimethoxy-5-prop-2-enylcyclopent-2-en-1-one

2,3,5-trichloro-4,4-dimethoxy-5-prop-2-enylcyclopent-2-en-1-one (PubChem CID 10935019) has the molecular formula C10H11Cl3O3 and a molecular weight of 285.55 g/mol. Its IUPAC name is 2,3,5-trichloro-4,4-dimethoxy-5-prop-2-enylcyclopent-2-en-1-one.

Molecular Properties

Compound Name2,3,5-trichloro-4,4-dimethoxy-5-prop-2-enylcyclopent-2-en-1-one
PubChem CID10935019
Molecular FormulaC10H11Cl3O3
Molecular Weight285.55 g/mol
Exact Mass283.98
IUPAC Name2,3,5-trichloro-4,4-dimethoxy-5-prop-2-enylcyclopent-2-en-1-one
SMILESC=CCC1(Cl)C(=O)C(Cl)=C(Cl)C1(OC)OC
InChIInChI=1S/C10H11Cl3O3/c1-4-5-9(13)8(14)6(11)7(12)10(9,15-2)16-3/h4H,1,5H2,2-3H3
InChIKeyKKSPRMWQDCCVKC-UHFFFAOYSA-N
XLogP2.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.55
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2,3,5-trichloro-4,4-dimethoxy-5-prop-2-enylcyclopent-2-en-1-one 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 2,3,5-trichloro-4,4-dimethoxy-5-prop-2-enylcyclopent-2-en-1-one?
The IUPAC name of 2,3,5-trichloro-4,4-dimethoxy-5-prop-2-enylcyclopent-2-en-1-one (CID 10935019) is 2,3,5-trichloro-4,4-dimethoxy-5-prop-2-enylcyclopent-2-en-1-one.
What is the SMILES notation for 2,3,5-trichloro-4,4-dimethoxy-5-prop-2-enylcyclopent-2-en-1-one?
The canonical SMILES for 2,3,5-trichloro-4,4-dimethoxy-5-prop-2-enylcyclopent-2-en-1-one is C=CCC1(Cl)C(=O)C(Cl)=C(Cl)C1(OC)OC.
What is the InChIKey of 2,3,5-trichloro-4,4-dimethoxy-5-prop-2-enylcyclopent-2-en-1-one?
The InChIKey is KKSPRMWQDCCVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl3O3/c1-4-5-9(13)8(14)6(11)7(12)10(9,15-2)16-3/h4H,1,5H2,2-3H3.
What are the key properties of 2,3,5-trichloro-4,4-dimethoxy-5-prop-2-enylcyclopent-2-en-1-one?
2,3,5-trichloro-4,4-dimethoxy-5-prop-2-enylcyclopent-2-en-1-one has a molecular weight of 285.55 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trichloro-4,4-dimethoxy-5-prop-2-enylcyclopent-2-en-1-one is sourced from PubChem (CID 10935019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).