(4S)-1-(bromomethyl)-4-prop-1-en-2-ylcyclohexene

C10H15Br — CID 11074774

IUPAC(4S)-1-(bromomethyl)-4-prop-1-en-2-ylcyclohexene
SMILESC=C(C)[C@@H]1CC=C(CBr)CC1
InChIInChI=1S/C10H15Br/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10H,1,4-7H2,2H3/t10-/m1/s1
InChIKeyZIGJSHDTEJPOPR-SNVBAGLBSA-N
MW215.13 g/mol
LogP3.68
Rot. Bonds2

About (4S)-1-(bromomethyl)-4-prop-1-en-2-ylcyclohexene

(4S)-1-(bromomethyl)-4-prop-1-en-2-ylcyclohexene (PubChem CID 11074774) has the molecular formula C10H15Br and a molecular weight of 215.13 g/mol. Its IUPAC name is (4S)-1-(bromomethyl)-4-prop-1-en-2-ylcyclohexene.

Molecular Properties

Compound Name(4S)-1-(bromomethyl)-4-prop-1-en-2-ylcyclohexene
PubChem CID11074774
Molecular FormulaC10H15Br
Molecular Weight215.13 g/mol
Exact Mass214.04
IUPAC Name(4S)-1-(bromomethyl)-4-prop-1-en-2-ylcyclohexene
SMILESC=C(C)[C@@H]1CC=C(CBr)CC1
InChIInChI=1S/C10H15Br/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10H,1,4-7H2,2H3/t10-/m1/s1
InChIKeyZIGJSHDTEJPOPR-SNVBAGLBSA-N
XLogP3.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.13
LogP ≤ 53.68
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)-1-(bromomethyl)-4-prop-1-en-2-ylcyclohexene?
The IUPAC name of (4S)-1-(bromomethyl)-4-prop-1-en-2-ylcyclohexene (CID 11074774) is (4S)-1-(bromomethyl)-4-prop-1-en-2-ylcyclohexene.
What is the SMILES notation for (4S)-1-(bromomethyl)-4-prop-1-en-2-ylcyclohexene?
The canonical SMILES for (4S)-1-(bromomethyl)-4-prop-1-en-2-ylcyclohexene is C=C(C)[C@@H]1CC=C(CBr)CC1.
What is the InChIKey of (4S)-1-(bromomethyl)-4-prop-1-en-2-ylcyclohexene?
The InChIKey is ZIGJSHDTEJPOPR-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H15Br/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10H,1,4-7H2,2H3/t10-/m1/s1.
What are the key properties of (4S)-1-(bromomethyl)-4-prop-1-en-2-ylcyclohexene?
(4S)-1-(bromomethyl)-4-prop-1-en-2-ylcyclohexene has a molecular weight of 215.13 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(bromomethyl)-4-prop-1-en-2-ylcyclohexene is sourced from PubChem (CID 11074774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).