(4S)-4-ethenylcyclohexene

C8H12 — CID 638078

IUPAC(4S)-4-ethenylcyclohexene
SMILESC=C[C@@H]1CC=CCC1
InChIInChI=1S/C8H12/c1-2-8-6-4-3-5-7-8/h2-4,8H,1,5-7H2/t8-/m1/s1
InChIKeyBBDKZWKEPDTENS-MRVPVSSYSA-N
MW108.18 g/mol
LogP2.53
Rot. Bonds1

About (4S)-4-ethenylcyclohexene

(4S)-4-ethenylcyclohexene (PubChem CID 638078) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is (4S)-4-ethenylcyclohexene.

Molecular Properties

Compound Name(4S)-4-ethenylcyclohexene
PubChem CID638078
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Name(4S)-4-ethenylcyclohexene
SMILESC=C[C@@H]1CC=CCC1
InChIInChI=1S/C8H12/c1-2-8-6-4-3-5-7-8/h2-4,8H,1,5-7H2/t8-/m1/s1
InChIKeyBBDKZWKEPDTENS-MRVPVSSYSA-N
XLogP2.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.18
LogP ≤ 52.53
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

4-Vinyl-1-cyclohexene
CID 7499
3a,4,7,7a-Tetrahydroindene
CID 62475
5-Methylenenorbornene
CID 260380
4-Methylcyclohexene
CID 11572
3,5,5-Trimethylcyclohexene
CID 79132
4-Tert-butylcyclohex-1-ene
CID 16688
3-Methylcyclohexene
CID 11573
trans-Isolimonene
CID 22831540
(3R-trans)-3-Methyl-6-(1-methylvinyl)cyclohexene
CID 78790
Bicyclo[2.2.1]hept-2-ene, polymer with ethene
CID 168460
3-Propyl-1-cyclopentene
CID 36671
3-Ethylcyclopentene
CID 79095

Frequently Asked Questions

What is the IUPAC name of (4S)-4-ethenylcyclohexene?
The IUPAC name of (4S)-4-ethenylcyclohexene (CID 638078) is (4S)-4-ethenylcyclohexene.
What is the SMILES notation for (4S)-4-ethenylcyclohexene?
The canonical SMILES for (4S)-4-ethenylcyclohexene is C=C[C@@H]1CC=CCC1.
What is the InChIKey of (4S)-4-ethenylcyclohexene?
The InChIKey is BBDKZWKEPDTENS-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H12/c1-2-8-6-4-3-5-7-8/h2-4,8H,1,5-7H2/t8-/m1/s1.
What are the key properties of (4S)-4-ethenylcyclohexene?
(4S)-4-ethenylcyclohexene has a molecular weight of 108.18 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-ethenylcyclohexene is sourced from PubChem (CID 638078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).