1-[(E)-5-chloropent-2-en-2-yl]-3-(2-methylpropyl)benzene

C15H21Cl — CID 116546317

IUPAC1-[(E)-5-chloropent-2-en-2-yl]-3-(2-methylpropyl)benzene
SMILESC/C(=C\CCCl)c1cccc(CC(C)C)c1
InChIInChI=1S/C15H21Cl/c1-12(2)10-14-7-4-8-15(11-14)13(3)6-5-9-16/h4,6-8,11-12H,5,9-10H2,1-3H3/b13-6+
InChIKeyUINGTTIVTBEQLM-AWNIVKPZSA-N
MW236.79 g/mol
LogP4.92
Rot. Bonds5

About 1-[(E)-5-chloropent-2-en-2-yl]-3-(2-methylpropyl)benzene

1-[(E)-5-chloropent-2-en-2-yl]-3-(2-methylpropyl)benzene (PubChem CID 116546317) has the molecular formula C15H21Cl and a molecular weight of 236.79 g/mol. Its IUPAC name is 1-[(E)-5-chloropent-2-en-2-yl]-3-(2-methylpropyl)benzene.

Molecular Properties

Compound Name1-[(E)-5-chloropent-2-en-2-yl]-3-(2-methylpropyl)benzene
PubChem CID116546317
Molecular FormulaC15H21Cl
Molecular Weight236.79 g/mol
Exact Mass236.13
IUPAC Name1-[(E)-5-chloropent-2-en-2-yl]-3-(2-methylpropyl)benzene
SMILESC/C(=C\CCCl)c1cccc(CC(C)C)c1
InChIInChI=1S/C15H21Cl/c1-12(2)10-14-7-4-8-15(11-14)13(3)6-5-9-16/h4,6-8,11-12H,5,9-10H2,1-3H3/b13-6+
InChIKeyUINGTTIVTBEQLM-AWNIVKPZSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.79
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-5-chloropent-2-en-2-yl]-3-(2-methylpropyl)benzene?
The IUPAC name of 1-[(E)-5-chloropent-2-en-2-yl]-3-(2-methylpropyl)benzene (CID 116546317) is 1-[(E)-5-chloropent-2-en-2-yl]-3-(2-methylpropyl)benzene.
What is the SMILES notation for 1-[(E)-5-chloropent-2-en-2-yl]-3-(2-methylpropyl)benzene?
The canonical SMILES for 1-[(E)-5-chloropent-2-en-2-yl]-3-(2-methylpropyl)benzene is C/C(=C\CCCl)c1cccc(CC(C)C)c1.
What is the InChIKey of 1-[(E)-5-chloropent-2-en-2-yl]-3-(2-methylpropyl)benzene?
The InChIKey is UINGTTIVTBEQLM-AWNIVKPZSA-N. The full InChI is InChI=1S/C15H21Cl/c1-12(2)10-14-7-4-8-15(11-14)13(3)6-5-9-16/h4,6-8,11-12H,5,9-10H2,1-3H3/b13-6+.
What are the key properties of 1-[(E)-5-chloropent-2-en-2-yl]-3-(2-methylpropyl)benzene?
1-[(E)-5-chloropent-2-en-2-yl]-3-(2-methylpropyl)benzene has a molecular weight of 236.79 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-5-chloropent-2-en-2-yl]-3-(2-methylpropyl)benzene is sourced from PubChem (CID 116546317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).