1-chloro-4-[(E)-(2,3,3-trimethylcyclopentylidene)methyl]benzene

C15H19Cl — CID 143542593

IUPAC1-chloro-4-[(E)-(2,3,3-trimethylcyclopentylidene)methyl]benzene
SMILESCC1/C(=C/c2ccc(Cl)cc2)CCC1(C)C
InChIInChI=1S/C15H19Cl/c1-11-13(8-9-15(11,2)3)10-12-4-6-14(16)7-5-12/h4-7,10-11H,8-9H2,1-3H3/b13-10+
InChIKeySWSSQPMJWQJVPJ-JLHYYAGUSA-N
MW234.77 g/mol
LogP5.18
Rot. Bonds1

About 1-chloro-4-[(E)-(2,3,3-trimethylcyclopentylidene)methyl]benzene

1-chloro-4-[(E)-(2,3,3-trimethylcyclopentylidene)methyl]benzene (PubChem CID 143542593) has the molecular formula C15H19Cl and a molecular weight of 234.77 g/mol. Its IUPAC name is 1-chloro-4-[(E)-(2,3,3-trimethylcyclopentylidene)methyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[(E)-(2,3,3-trimethylcyclopentylidene)methyl]benzene
PubChem CID143542593
Molecular FormulaC15H19Cl
Molecular Weight234.77 g/mol
Exact Mass234.12
IUPAC Name1-chloro-4-[(E)-(2,3,3-trimethylcyclopentylidene)methyl]benzene
SMILESCC1/C(=C/c2ccc(Cl)cc2)CCC1(C)C
InChIInChI=1S/C15H19Cl/c1-11-13(8-9-15(11,2)3)10-12-4-6-14(16)7-5-12/h4-7,10-11H,8-9H2,1-3H3/b13-10+
InChIKeySWSSQPMJWQJVPJ-JLHYYAGUSA-N
XLogP5.18
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 ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(E)-(2,3,3-trimethylcyclopentylidene)methyl]benzene?
The IUPAC name of 1-chloro-4-[(E)-(2,3,3-trimethylcyclopentylidene)methyl]benzene (CID 143542593) is 1-chloro-4-[(E)-(2,3,3-trimethylcyclopentylidene)methyl]benzene.
What is the SMILES notation for 1-chloro-4-[(E)-(2,3,3-trimethylcyclopentylidene)methyl]benzene?
The canonical SMILES for 1-chloro-4-[(E)-(2,3,3-trimethylcyclopentylidene)methyl]benzene is CC1/C(=C/c2ccc(Cl)cc2)CCC1(C)C.
What is the InChIKey of 1-chloro-4-[(E)-(2,3,3-trimethylcyclopentylidene)methyl]benzene?
The InChIKey is SWSSQPMJWQJVPJ-JLHYYAGUSA-N. The full InChI is InChI=1S/C15H19Cl/c1-11-13(8-9-15(11,2)3)10-12-4-6-14(16)7-5-12/h4-7,10-11H,8-9H2,1-3H3/b13-10+.
What are the key properties of 1-chloro-4-[(E)-(2,3,3-trimethylcyclopentylidene)methyl]benzene?
1-chloro-4-[(E)-(2,3,3-trimethylcyclopentylidene)methyl]benzene has a molecular weight of 234.77 g/mol, XLogP of 5.18, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(E)-(2,3,3-trimethylcyclopentylidene)methyl]benzene is sourced from PubChem (CID 143542593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).