2-cyclohex-3-en-1-ylacetyl chloride

C8H11ClO — CID 89151584

IUPAC2-cyclohex-3-en-1-ylacetyl chloride
SMILESO=C(Cl)CC1CC=CCC1
InChIInChI=1S/C8H11ClO/c9-8(10)6-7-4-2-1-3-5-7/h1-2,7H,3-6H2
InChIKeyDTVHCWXWXYVHLV-UHFFFAOYSA-N
MW158.63 g/mol
LogP2.50
Rot. Bonds2

About 2-cyclohex-3-en-1-ylacetyl chloride

2-cyclohex-3-en-1-ylacetyl chloride (PubChem CID 89151584) has the molecular formula C8H11ClO and a molecular weight of 158.63 g/mol. Its IUPAC name is 2-cyclohex-3-en-1-ylacetyl chloride.

Molecular Properties

Compound Name2-cyclohex-3-en-1-ylacetyl chloride
PubChem CID89151584
Molecular FormulaC8H11ClO
Molecular Weight158.63 g/mol
Exact Mass158.05
IUPAC Name2-cyclohex-3-en-1-ylacetyl chloride
SMILESO=C(Cl)CC1CC=CCC1
InChIInChI=1S/C8H11ClO/c9-8(10)6-7-4-2-1-3-5-7/h1-2,7H,3-6H2
InChIKeyDTVHCWXWXYVHLV-UHFFFAOYSA-N
XLogP2.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.63
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohex-3-en-1-ylacetyl chloride?
The IUPAC name of 2-cyclohex-3-en-1-ylacetyl chloride (CID 89151584) is 2-cyclohex-3-en-1-ylacetyl chloride.
What is the SMILES notation for 2-cyclohex-3-en-1-ylacetyl chloride?
The canonical SMILES for 2-cyclohex-3-en-1-ylacetyl chloride is O=C(Cl)CC1CC=CCC1.
What is the InChIKey of 2-cyclohex-3-en-1-ylacetyl chloride?
The InChIKey is DTVHCWXWXYVHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClO/c9-8(10)6-7-4-2-1-3-5-7/h1-2,7H,3-6H2.
What are the key properties of 2-cyclohex-3-en-1-ylacetyl chloride?
2-cyclohex-3-en-1-ylacetyl chloride has a molecular weight of 158.63 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-3-en-1-ylacetyl chloride is sourced from PubChem (CID 89151584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).