5-butyl-5-ethyl-4-phenylsulfanyloxolan-2-one

C16H22O2S — CID 13056778

IUPAC5-butyl-5-ethyl-4-phenylsulfanyloxolan-2-one
SMILESCCCCC1(CC)OC(=O)CC1Sc1ccccc1
InChIInChI=1S/C16H22O2S/c1-3-5-11-16(4-2)14(12-15(17)18-16)19-13-9-7-6-8-10-13/h6-10,14H,3-5,11-12H2,1-2H3
InChIKeyZJYABCHPJHFHPU-UHFFFAOYSA-N
MW278.42 g/mol
LogP4.43
Rot. Bonds6

About 5-butyl-5-ethyl-4-phenylsulfanyloxolan-2-one

5-butyl-5-ethyl-4-phenylsulfanyloxolan-2-one (PubChem CID 13056778) has the molecular formula C16H22O2S and a molecular weight of 278.42 g/mol. Its IUPAC name is 5-butyl-5-ethyl-4-phenylsulfanyloxolan-2-one.

Molecular Properties

Compound Name5-butyl-5-ethyl-4-phenylsulfanyloxolan-2-one
PubChem CID13056778
Molecular FormulaC16H22O2S
Molecular Weight278.42 g/mol
Exact Mass278.13
IUPAC Name5-butyl-5-ethyl-4-phenylsulfanyloxolan-2-one
SMILESCCCCC1(CC)OC(=O)CC1Sc1ccccc1
InChIInChI=1S/C16H22O2S/c1-3-5-11-16(4-2)14(12-15(17)18-16)19-13-9-7-6-8-10-13/h6-10,14H,3-5,11-12H2,1-2H3
InChIKeyZJYABCHPJHFHPU-UHFFFAOYSA-N
XLogP4.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-butyl-5-ethyl-4-phenylsulfanyloxolan-2-one 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

3-butyl-3-ethyl-1,1-dioxo-5-phenylsulfanyl-4,5-dihydro-2H-1λ6-benzothiepin-4-ol
CID 22678832
6,6-dimethyl-5-phenylsulfanylpiperidin-2-one
CID 11736485
(2-bromo-2-methylcyclopropyl)sulfanylbenzene
CID 595999
(4S,5R)-5-ethyl-4-fluoro-5-phenyloxolan-2-one
CID 132559975
(4R,5S)-4-(4-methylphenyl)sulfanyl-5-phenyloxolan-2-one
CID 10708196
(2R,3R)-2-heptyl-3-phenylsulfanyl-1-oxaspiro[4.5]decan-4-one
CID 11792893
3,3-diethyl-4-phenylsulfanylazetidin-2-one
CID 11368343
(5S,6S)-1-butyl-6-phenyl-5-phenylsulfanylpiperidin-2-one
CID 95091827
2,2-dimethyl-3-phenylsulfanyloxirane
CID 87987628
4-methyl-4-pentyl-3H-chromen-2-one
CID 13229905
4-benzyl-2-butyl-2-methylsulfanylcyclopentan-1-one
CID 12861264
3-decyl-3-methyl-2-benzofuran-1-one
CID 139663911

Frequently Asked Questions

What is the IUPAC name of 5-butyl-5-ethyl-4-phenylsulfanyloxolan-2-one?
The IUPAC name of 5-butyl-5-ethyl-4-phenylsulfanyloxolan-2-one (CID 13056778) is 5-butyl-5-ethyl-4-phenylsulfanyloxolan-2-one.
What is the SMILES notation for 5-butyl-5-ethyl-4-phenylsulfanyloxolan-2-one?
The canonical SMILES for 5-butyl-5-ethyl-4-phenylsulfanyloxolan-2-one is CCCCC1(CC)OC(=O)CC1Sc1ccccc1.
What is the InChIKey of 5-butyl-5-ethyl-4-phenylsulfanyloxolan-2-one?
The InChIKey is ZJYABCHPJHFHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2S/c1-3-5-11-16(4-2)14(12-15(17)18-16)19-13-9-7-6-8-10-13/h6-10,14H,3-5,11-12H2,1-2H3.
What are the key properties of 5-butyl-5-ethyl-4-phenylsulfanyloxolan-2-one?
5-butyl-5-ethyl-4-phenylsulfanyloxolan-2-one has a molecular weight of 278.42 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-5-ethyl-4-phenylsulfanyloxolan-2-one is sourced from PubChem (CID 13056778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).