1-chloro-4-(2,4,4-trimethylcyclohex-2-en-1-yl)benzene

C15H19Cl — CID 140982980

IUPAC1-chloro-4-(2,4,4-trimethylcyclohex-2-en-1-yl)benzene
SMILESCC1=CC(C)(C)CCC1c1ccc(Cl)cc1
InChIInChI=1S/C15H19Cl/c1-11-10-15(2,3)9-8-14(11)12-4-6-13(16)7-5-12/h4-7,10,14H,8-9H2,1-3H3
InChIKeyJHLUMWLPZBLIPI-UHFFFAOYSA-N
MW234.77 g/mol
LogP5.19
Rot. Bonds1

About 1-chloro-4-(2,4,4-trimethylcyclohex-2-en-1-yl)benzene

1-chloro-4-(2,4,4-trimethylcyclohex-2-en-1-yl)benzene (PubChem CID 140982980) has the molecular formula C15H19Cl and a molecular weight of 234.77 g/mol. Its IUPAC name is 1-chloro-4-(2,4,4-trimethylcyclohex-2-en-1-yl)benzene.

Molecular Properties

Compound Name1-chloro-4-(2,4,4-trimethylcyclohex-2-en-1-yl)benzene
PubChem CID140982980
Molecular FormulaC15H19Cl
Molecular Weight234.77 g/mol
Exact Mass234.12
IUPAC Name1-chloro-4-(2,4,4-trimethylcyclohex-2-en-1-yl)benzene
SMILESCC1=CC(C)(C)CCC1c1ccc(Cl)cc1
InChIInChI=1S/C15H19Cl/c1-11-10-15(2,3)9-8-14(11)12-4-6-13(16)7-5-12/h4-7,10,14H,8-9H2,1-3H3
InChIKeyJHLUMWLPZBLIPI-UHFFFAOYSA-N
XLogP5.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.77
LogP ≤ 55.19
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 1-chloro-4-(2,4,4-trimethylcyclohex-2-en-1-yl)benzene?
The IUPAC name of 1-chloro-4-(2,4,4-trimethylcyclohex-2-en-1-yl)benzene (CID 140982980) is 1-chloro-4-(2,4,4-trimethylcyclohex-2-en-1-yl)benzene.
What is the SMILES notation for 1-chloro-4-(2,4,4-trimethylcyclohex-2-en-1-yl)benzene?
The canonical SMILES for 1-chloro-4-(2,4,4-trimethylcyclohex-2-en-1-yl)benzene is CC1=CC(C)(C)CCC1c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-(2,4,4-trimethylcyclohex-2-en-1-yl)benzene?
The InChIKey is JHLUMWLPZBLIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl/c1-11-10-15(2,3)9-8-14(11)12-4-6-13(16)7-5-12/h4-7,10,14H,8-9H2,1-3H3.
What are the key properties of 1-chloro-4-(2,4,4-trimethylcyclohex-2-en-1-yl)benzene?
1-chloro-4-(2,4,4-trimethylcyclohex-2-en-1-yl)benzene has a molecular weight of 234.77 g/mol, XLogP of 5.19, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(2,4,4-trimethylcyclohex-2-en-1-yl)benzene is sourced from PubChem (CID 140982980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).