1-butyl-3-(3-cyclopentylprop-2-enylsulfonyl)benzene

C18H26O2S — CID 175245408

IUPAC1-butyl-3-(3-cyclopentylprop-2-enylsulfonyl)benzene
SMILESCCCCc1cccc(S(=O)(=O)CC=CC2CCCC2)c1
InChIInChI=1S/C18H26O2S/c1-2-3-8-17-11-6-13-18(15-17)21(19,20)14-7-12-16-9-4-5-10-16/h6-7,11-13,15-16H,2-5,8-10,14H2,1H3
InChIKeyFYHPOPQDVMZGJF-UHFFFAOYSA-N
MW306.47 g/mol
LogP4.55
Rot. Bonds7

About 1-butyl-3-(3-cyclopentylprop-2-enylsulfonyl)benzene

1-butyl-3-(3-cyclopentylprop-2-enylsulfonyl)benzene (PubChem CID 175245408) has the molecular formula C18H26O2S and a molecular weight of 306.47 g/mol. Its IUPAC name is 1-butyl-3-(3-cyclopentylprop-2-enylsulfonyl)benzene.

Molecular Properties

Compound Name1-butyl-3-(3-cyclopentylprop-2-enylsulfonyl)benzene
PubChem CID175245408
Molecular FormulaC18H26O2S
Molecular Weight306.47 g/mol
Exact Mass306.17
IUPAC Name1-butyl-3-(3-cyclopentylprop-2-enylsulfonyl)benzene
SMILESCCCCc1cccc(S(=O)(=O)CC=CC2CCCC2)c1
InChIInChI=1S/C18H26O2S/c1-2-3-8-17-11-6-13-18(15-17)21(19,20)14-7-12-16-9-4-5-10-16/h6-7,11-13,15-16H,2-5,8-10,14H2,1H3
InChIKeyFYHPOPQDVMZGJF-UHFFFAOYSA-N
XLogP4.55
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-butyl-3-(3-cyclopentylprop-2-enylsulfonyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(E)-3-cyclohexylprop-2-enyl]-methylimino-oxo-phenyl-λ6-sulfane
CID 10683958
3-nonacosylbenzenesulfonic acid
CID 101306363
3-henicosylbenzenesulfonic acid
CID 101306236
3-nonylbenzenesulfonic acid
CID 14941614
sodium 3-pentatriacontylbenzenesulfonate
CID 101306469
calcium bis(3-hexacosylbenzenesulfonate)
CID 101306313
potassium 3-hentetracontylbenzenesulfonate
CID 101306573
sodium 3-octatetracontylbenzenesulfonate
CID 101306953
magnesium bis(3-hentriacontylbenzenesulfonate)
CID 101306401
potassium 3-hexadecylbenzenesulfonate
CID 23666632
3-[3-(2-cycloheptylethenyl)phenyl]propan-1-amine
CID 68941705
1-but-3-enyl-3-ethylsulfonylbenzene
CID 83926604

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(3-cyclopentylprop-2-enylsulfonyl)benzene?
The IUPAC name of 1-butyl-3-(3-cyclopentylprop-2-enylsulfonyl)benzene (CID 175245408) is 1-butyl-3-(3-cyclopentylprop-2-enylsulfonyl)benzene.
What is the SMILES notation for 1-butyl-3-(3-cyclopentylprop-2-enylsulfonyl)benzene?
The canonical SMILES for 1-butyl-3-(3-cyclopentylprop-2-enylsulfonyl)benzene is CCCCc1cccc(S(=O)(=O)CC=CC2CCCC2)c1.
What is the InChIKey of 1-butyl-3-(3-cyclopentylprop-2-enylsulfonyl)benzene?
The InChIKey is FYHPOPQDVMZGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2S/c1-2-3-8-17-11-6-13-18(15-17)21(19,20)14-7-12-16-9-4-5-10-16/h6-7,11-13,15-16H,2-5,8-10,14H2,1H3.
What are the key properties of 1-butyl-3-(3-cyclopentylprop-2-enylsulfonyl)benzene?
1-butyl-3-(3-cyclopentylprop-2-enylsulfonyl)benzene has a molecular weight of 306.47 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(3-cyclopentylprop-2-enylsulfonyl)benzene is sourced from PubChem (CID 175245408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).