1-butylsulfanylcyclopentene

C9H16S — CID 134985704

IUPAC1-butylsulfanylcyclopentene
SMILESCCCCSC1=CCCC1
InChIInChI=1S/C9H16S/c1-2-3-8-10-9-6-4-5-7-9/h6H,2-5,7-8H2,1H3
InChIKeyUXSUQNCXUROPJP-UHFFFAOYSA-N
MW156.29 g/mol
LogP3.59
Rot. Bonds4

About 1-butylsulfanylcyclopentene

1-butylsulfanylcyclopentene (PubChem CID 134985704) has the molecular formula C9H16S and a molecular weight of 156.29 g/mol. Its IUPAC name is 1-butylsulfanylcyclopentene.

Molecular Properties

Compound Name1-butylsulfanylcyclopentene
PubChem CID134985704
Molecular FormulaC9H16S
Molecular Weight156.29 g/mol
Exact Mass156.10
IUPAC Name1-butylsulfanylcyclopentene
SMILESCCCCSC1=CCCC1
InChIInChI=1S/C9H16S/c1-2-3-8-10-9-6-4-5-7-9/h6H,2-5,7-8H2,1H3
InChIKeyUXSUQNCXUROPJP-UHFFFAOYSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.29
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-Methyl-2,3-dihydrothiophene
CID 559083
2,6-Octadiene, 3,7-dimethyl-1-(methylthio)-, (2E)-
CID 6442043
2,6-Octadiene, 3,7-dimethyl-1-(methylthio)-, (2Z)-
CID 6442039
2H-Thiopyran,3,4-dihydro-6-methyl-
CID 139371
Cyclopentene, (methylthio)-
CID 5325880
Dhwyccuuwkegof-uhfffaoysa-
CID 10920955
(E)-1-methylsulfanylhept-2-ene
CID 13215828
(2E,6E)-3,7,11-trimethyl-1-propylsulfanyldodeca-2,6,10-triene
CID 71498425
2-Ethyl-5-methyl-2,5-dihydrothiophene
CID 12204283
2-Ethyl-2,5-dihydrothiophene
CID 12596162
2-Propyl-2,5-dihydrothiophene
CID 15032355
3-Ethylsulfanylcyclohexene
CID 10975594

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfanylcyclopentene?
The IUPAC name of 1-butylsulfanylcyclopentene (CID 134985704) is 1-butylsulfanylcyclopentene.
What is the SMILES notation for 1-butylsulfanylcyclopentene?
The canonical SMILES for 1-butylsulfanylcyclopentene is CCCCSC1=CCCC1.
What is the InChIKey of 1-butylsulfanylcyclopentene?
The InChIKey is UXSUQNCXUROPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16S/c1-2-3-8-10-9-6-4-5-7-9/h6H,2-5,7-8H2,1H3.
What are the key properties of 1-butylsulfanylcyclopentene?
1-butylsulfanylcyclopentene has a molecular weight of 156.29 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfanylcyclopentene is sourced from PubChem (CID 134985704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).