(4S)-4-(bromomethyl)cyclohexene

C7H11Br — CID 54346043

IUPAC(4S)-4-(bromomethyl)cyclohexene
SMILESBrC[C@@H]1CC=CCC1
InChIInChI=1S/C7H11Br/c8-6-7-4-2-1-3-5-7/h1-2,7H,3-6H2/t7-/m1/s1
InChIKeyUCJOBPVWCIRPSU-SSDOTTSWSA-N
MW175.07 g/mol
LogP2.74
Rot. Bonds1

About (4S)-4-(bromomethyl)cyclohexene

(4S)-4-(bromomethyl)cyclohexene (PubChem CID 54346043) has the molecular formula C7H11Br and a molecular weight of 175.07 g/mol. Its IUPAC name is (4S)-4-(bromomethyl)cyclohexene.

Molecular Properties

Compound Name(4S)-4-(bromomethyl)cyclohexene
PubChem CID54346043
Molecular FormulaC7H11Br
Molecular Weight175.07 g/mol
Exact Mass174.00
IUPAC Name(4S)-4-(bromomethyl)cyclohexene
SMILESBrC[C@@H]1CC=CCC1
InChIInChI=1S/C7H11Br/c8-6-7-4-2-1-3-5-7/h1-2,7H,3-6H2/t7-/m1/s1
InChIKeyUCJOBPVWCIRPSU-SSDOTTSWSA-N
XLogP2.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.07
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(bromomethyl)cyclohexene?
The IUPAC name of (4S)-4-(bromomethyl)cyclohexene (CID 54346043) is (4S)-4-(bromomethyl)cyclohexene.
What is the SMILES notation for (4S)-4-(bromomethyl)cyclohexene?
The canonical SMILES for (4S)-4-(bromomethyl)cyclohexene is BrC[C@@H]1CC=CCC1.
What is the InChIKey of (4S)-4-(bromomethyl)cyclohexene?
The InChIKey is UCJOBPVWCIRPSU-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H11Br/c8-6-7-4-2-1-3-5-7/h1-2,7H,3-6H2/t7-/m1/s1.
What are the key properties of (4S)-4-(bromomethyl)cyclohexene?
(4S)-4-(bromomethyl)cyclohexene has a molecular weight of 175.07 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(bromomethyl)cyclohexene is sourced from PubChem (CID 54346043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).