3-[(E)-2-bromo-3-cyclohexylprop-1-enyl]cyclohexene

C15H23Br — CID 71493570

IUPAC3-[(E)-2-bromo-3-cyclohexylprop-1-enyl]cyclohexene
SMILESBr/C(=C/C1C=CCCC1)CC1CCCCC1
InChIInChI=1S/C15H23Br/c16-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h3,7,11,13-14H,1-2,4-6,8-10,12H2/b15-11+
InChIKeyLTBLAYPYWJFQPW-RVDMUPIBSA-N
MW283.25 g/mol
LogP5.59
Rot. Bonds3

About 3-[(E)-2-bromo-3-cyclohexylprop-1-enyl]cyclohexene

3-[(E)-2-bromo-3-cyclohexylprop-1-enyl]cyclohexene (PubChem CID 71493570) has the molecular formula C15H23Br and a molecular weight of 283.25 g/mol. Its IUPAC name is 3-[(E)-2-bromo-3-cyclohexylprop-1-enyl]cyclohexene.

Molecular Properties

Compound Name3-[(E)-2-bromo-3-cyclohexylprop-1-enyl]cyclohexene
PubChem CID71493570
Molecular FormulaC15H23Br
Molecular Weight283.25 g/mol
Exact Mass282.10
IUPAC Name3-[(E)-2-bromo-3-cyclohexylprop-1-enyl]cyclohexene
SMILESBr/C(=C/C1C=CCCC1)CC1CCCCC1
InChIInChI=1S/C15H23Br/c16-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h3,7,11,13-14H,1-2,4-6,8-10,12H2/b15-11+
InChIKeyLTBLAYPYWJFQPW-RVDMUPIBSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.25
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-[(Z)-2-bromodec-1-enyl]cyclohexene
CID 71493572
[(Z)-3-bromo-2-iodoprop-2-enyl]cyclohexane
CID 125475550
1-[(E)-1-bromo-2-cyclohex-2-en-1-ylethenyl]-3-chlorobenzene
CID 71493218
3-prop-1-enylcyclohexene
CID 152698334
(3S)-3-[(1R)-cyclohex-2-en-1-yl]cyclohexene
CID 95564793
(3R)-3-[(1E,3E)-penta-1,3-dienyl]cyclohexene
CID 101128048
3-prop-2-enylcyclododecene
CID 173111720
(1E)-3-prop-2-enylcyclododecene
CID 173111718
(NE)-N-(2-cyclohex-2-en-1-ylethylidene)hydroxylamine
CID 24974434
3-[(Z)-hex-1-enyl]cyclohexene
CID 177486047
3-[(E)-hex-1-enyl]cyclohexene
CID 5358331
3-(3-cyclohex-3-en-1-yl-2-cyclohexylprop-2-enyl)cyclohexene
CID 90947304

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-bromo-3-cyclohexylprop-1-enyl]cyclohexene?
The IUPAC name of 3-[(E)-2-bromo-3-cyclohexylprop-1-enyl]cyclohexene (CID 71493570) is 3-[(E)-2-bromo-3-cyclohexylprop-1-enyl]cyclohexene.
What is the SMILES notation for 3-[(E)-2-bromo-3-cyclohexylprop-1-enyl]cyclohexene?
The canonical SMILES for 3-[(E)-2-bromo-3-cyclohexylprop-1-enyl]cyclohexene is Br/C(=C/C1C=CCCC1)CC1CCCCC1.
What is the InChIKey of 3-[(E)-2-bromo-3-cyclohexylprop-1-enyl]cyclohexene?
The InChIKey is LTBLAYPYWJFQPW-RVDMUPIBSA-N. The full InChI is InChI=1S/C15H23Br/c16-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h3,7,11,13-14H,1-2,4-6,8-10,12H2/b15-11+.
What are the key properties of 3-[(E)-2-bromo-3-cyclohexylprop-1-enyl]cyclohexene?
3-[(E)-2-bromo-3-cyclohexylprop-1-enyl]cyclohexene has a molecular weight of 283.25 g/mol, XLogP of 5.59, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-bromo-3-cyclohexylprop-1-enyl]cyclohexene is sourced from PubChem (CID 71493570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).