3-propan-2-ylsulfanylcyclopentene

C8H14S — CID 59881933

IUPAC3-propan-2-ylsulfanylcyclopentene
SMILESCC(C)SC1C=CCC1
InChIInChI=1S/C8H14S/c1-7(2)9-8-5-3-4-6-8/h3,5,7-8H,4,6H2,1-2H3
InChIKeyBPHWMKWNXSGQHZ-UHFFFAOYSA-N
MW142.27 g/mol
LogP2.85
Rot. Bonds2

About 3-propan-2-ylsulfanylcyclopentene

3-propan-2-ylsulfanylcyclopentene (PubChem CID 59881933) has the molecular formula C8H14S and a molecular weight of 142.27 g/mol. Its IUPAC name is 3-propan-2-ylsulfanylcyclopentene.

Molecular Properties

Compound Name3-propan-2-ylsulfanylcyclopentene
PubChem CID59881933
Molecular FormulaC8H14S
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Name3-propan-2-ylsulfanylcyclopentene
SMILESCC(C)SC1C=CCC1
InChIInChI=1S/C8H14S/c1-7(2)9-8-5-3-4-6-8/h3,5,7-8H,4,6H2,1-2H3
InChIKeyBPHWMKWNXSGQHZ-UHFFFAOYSA-N
XLogP2.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.27
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

S-cyclopent-2-en-1-yl 2,2-difluoroethanethioate
CID 19598264
5-propan-2-ylsulfanylcyclohexa-1,3-diene
CID 173165448
(3S,4S)-4-methyl-3-propan-2-ylcyclohexene
CID 54375477
3-(cyclohex-2-en-1-yldisulfanyl)cyclohexene
CID 86120832
(3S)-3-methylcyclopentene
CID 11018803
(3R)-3-[(2R)-butan-2-yl]cyclopentene
CID 143832917
ethane;(3R)-3-ethylcyclopentene
CID 145484001
(2R)-2-[(1S)-cyclopent-2-en-1-yl]propanoic acid
CID 55301012
4-methyl-3-(4-methylpentyl)cyclohexene
CID 142386798
(3S,4R)-3-methoxy-4-propan-2-ylcyclohexene
CID 134897656
1-methyl-6-propan-2-ylcyclohex-2-en-1-ol
CID 141289275
cyclopent-2-en-1-yl(trimethyl)germane
CID 23264491

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-ylsulfanylcyclopentene?
The IUPAC name of 3-propan-2-ylsulfanylcyclopentene (CID 59881933) is 3-propan-2-ylsulfanylcyclopentene.
What is the SMILES notation for 3-propan-2-ylsulfanylcyclopentene?
The canonical SMILES for 3-propan-2-ylsulfanylcyclopentene is CC(C)SC1C=CCC1.
What is the InChIKey of 3-propan-2-ylsulfanylcyclopentene?
The InChIKey is BPHWMKWNXSGQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S/c1-7(2)9-8-5-3-4-6-8/h3,5,7-8H,4,6H2,1-2H3.
What are the key properties of 3-propan-2-ylsulfanylcyclopentene?
3-propan-2-ylsulfanylcyclopentene has a molecular weight of 142.27 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylsulfanylcyclopentene is sourced from PubChem (CID 59881933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).