4-[(E)-1-chloroprop-1-en-2-yl]-1-methylcyclohexene

C10H15Cl — CID 127260694

IUPAC4-[(E)-1-chloroprop-1-en-2-yl]-1-methylcyclohexene
SMILESCC1=CCC(/C(C)=C/Cl)CC1
InChIInChI=1S/C10H15Cl/c1-8-3-5-10(6-4-8)9(2)7-11/h3,7,10H,4-6H2,1-2H3/b9-7+
InChIKeyHQIKGZMLMNJTIT-VQHVLOKHSA-N
MW170.68 g/mol
LogP3.88
Rot. Bonds1

About 4-[(E)-1-chloroprop-1-en-2-yl]-1-methylcyclohexene

4-[(E)-1-chloroprop-1-en-2-yl]-1-methylcyclohexene (PubChem CID 127260694) has the molecular formula C10H15Cl and a molecular weight of 170.68 g/mol. Its IUPAC name is 4-[(E)-1-chloroprop-1-en-2-yl]-1-methylcyclohexene.

Molecular Properties

Compound Name4-[(E)-1-chloroprop-1-en-2-yl]-1-methylcyclohexene
PubChem CID127260694
Molecular FormulaC10H15Cl
Molecular Weight170.68 g/mol
Exact Mass170.09
IUPAC Name4-[(E)-1-chloroprop-1-en-2-yl]-1-methylcyclohexene
SMILESCC1=CCC(/C(C)=C/Cl)CC1
InChIInChI=1S/C10H15Cl/c1-8-3-5-10(6-4-8)9(2)7-11/h3,7,10H,4-6H2,1-2H3/b9-7+
InChIKeyHQIKGZMLMNJTIT-VQHVLOKHSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.68
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-1-chloroprop-1-en-2-yl]-1-methylcyclohexene?
The IUPAC name of 4-[(E)-1-chloroprop-1-en-2-yl]-1-methylcyclohexene (CID 127260694) is 4-[(E)-1-chloroprop-1-en-2-yl]-1-methylcyclohexene.
What is the SMILES notation for 4-[(E)-1-chloroprop-1-en-2-yl]-1-methylcyclohexene?
The canonical SMILES for 4-[(E)-1-chloroprop-1-en-2-yl]-1-methylcyclohexene is CC1=CCC(/C(C)=C/Cl)CC1.
What is the InChIKey of 4-[(E)-1-chloroprop-1-en-2-yl]-1-methylcyclohexene?
The InChIKey is HQIKGZMLMNJTIT-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H15Cl/c1-8-3-5-10(6-4-8)9(2)7-11/h3,7,10H,4-6H2,1-2H3/b9-7+.
What are the key properties of 4-[(E)-1-chloroprop-1-en-2-yl]-1-methylcyclohexene?
4-[(E)-1-chloroprop-1-en-2-yl]-1-methylcyclohexene has a molecular weight of 170.68 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-1-chloroprop-1-en-2-yl]-1-methylcyclohexene is sourced from PubChem (CID 127260694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).