(4S)-3,4-dimethylcyclopentene

C7H12 — CID 145216424

IUPAC(4S)-3,4-dimethylcyclopentene
SMILESCC1C=CC[C@@H]1C
InChIInChI=1S/C7H12/c1-6-4-3-5-7(6)2/h3-4,6-7H,5H2,1-2H3/t6?,7-/m0/s1
InChIKeyJOVGLRSLWFSVNB-MLWJPKLSSA-N
MW96.17 g/mol
LogP2.22
Rot. Bonds

About (4S)-3,4-dimethylcyclopentene

(4S)-3,4-dimethylcyclopentene (PubChem CID 145216424) has the molecular formula C7H12 and a molecular weight of 96.17 g/mol. Its IUPAC name is (4S)-3,4-dimethylcyclopentene.

Molecular Properties

Compound Name(4S)-3,4-dimethylcyclopentene
PubChem CID145216424
Molecular FormulaC7H12
Molecular Weight96.17 g/mol
Exact Mass96.09
IUPAC Name(4S)-3,4-dimethylcyclopentene
SMILESCC1C=CC[C@@H]1C
InChIInChI=1S/C7H12/c1-6-4-3-5-7(6)2/h3-4,6-7H,5H2,1-2H3/t6?,7-/m0/s1
InChIKeyJOVGLRSLWFSVNB-MLWJPKLSSA-N
XLogP2.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.17
LogP ≤ 52.22
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

3,4-dimethylcyclopentene;(Z)-3,4-dimethylhex-2-ene;ethane
CID 145020168
5-methylcyclopent-2-en-1-ol
CID 23103323
3-methylcyclobutene;sulfane
CID 90110313
5-methylcyclopent-2-ene-1-carbaldehyde
CID 75994699
3-ethenyl-4-methylcyclopentene
CID 143683311
5,6-dimethylcyclohex-2-ene-1-thiol
CID 143060463
(3R,4R)-3,4-dimethylcycloocta-1,5-diene
CID 129383569
(1S,4aS,4bS,8S,8aS,9aS)-1,8-dimethyl-1,4,4a,4b,5,8,8a,9a-octahydrofluoren-9-one
CID 10910958
3-tert-butyl-4,5-dimethylcyclohexene
CID 123727998
4-methyl-3-propylcyclopentene
CID 91050594
(5R)-6-ethyl-5-methylcyclohex-3-en-1-ol
CID 89393198
(1S,2S,3R)-3-methylcyclohex-4-ene-1,2-dicarboxylic acid
CID 98091255

Frequently Asked Questions

What is the IUPAC name of (4S)-3,4-dimethylcyclopentene?
The IUPAC name of (4S)-3,4-dimethylcyclopentene (CID 145216424) is (4S)-3,4-dimethylcyclopentene.
What is the SMILES notation for (4S)-3,4-dimethylcyclopentene?
The canonical SMILES for (4S)-3,4-dimethylcyclopentene is CC1C=CC[C@@H]1C.
What is the InChIKey of (4S)-3,4-dimethylcyclopentene?
The InChIKey is JOVGLRSLWFSVNB-MLWJPKLSSA-N. The full InChI is InChI=1S/C7H12/c1-6-4-3-5-7(6)2/h3-4,6-7H,5H2,1-2H3/t6?,7-/m0/s1.
What are the key properties of (4S)-3,4-dimethylcyclopentene?
(4S)-3,4-dimethylcyclopentene has a molecular weight of 96.17 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3,4-dimethylcyclopentene is sourced from PubChem (CID 145216424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).