[1-(1-phenylsulfanylpropa-1,2-dienyl)cyclopentyl] acetate

C16H18O2S — CID 10934650

IUPAC[1-(1-phenylsulfanylpropa-1,2-dienyl)cyclopentyl] acetate
SMILESC=C=C(Sc1ccccc1)C1(OC(C)=O)CCCC1
InChIInChI=1S/C16H18O2S/c1-3-15(19-14-9-5-4-6-10-14)16(18-13(2)17)11-7-8-12-16/h4-6,9-10H,1,7-8,11-12H2,2H3
InChIKeyGLBSOZQXDGNPNT-UHFFFAOYSA-N
MW274.38 g/mol
LogP4.32
Rot. Bonds4

About [1-(1-phenylsulfanylpropa-1,2-dienyl)cyclopentyl] acetate

[1-(1-phenylsulfanylpropa-1,2-dienyl)cyclopentyl] acetate (PubChem CID 10934650) has the molecular formula C16H18O2S and a molecular weight of 274.38 g/mol. Its IUPAC name is [1-(1-phenylsulfanylpropa-1,2-dienyl)cyclopentyl] acetate.

Molecular Properties

Compound Name[1-(1-phenylsulfanylpropa-1,2-dienyl)cyclopentyl] acetate
PubChem CID10934650
Molecular FormulaC16H18O2S
Molecular Weight274.38 g/mol
Exact Mass274.10
IUPAC Name[1-(1-phenylsulfanylpropa-1,2-dienyl)cyclopentyl] acetate
SMILESC=C=C(Sc1ccccc1)C1(OC(C)=O)CCCC1
InChIInChI=1S/C16H18O2S/c1-3-15(19-14-9-5-4-6-10-14)16(18-13(2)17)11-7-8-12-16/h4-6,9-10H,1,7-8,11-12H2,2H3
InChIKeyGLBSOZQXDGNPNT-UHFFFAOYSA-N
XLogP4.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,5-Dimethyl-4-(phenylsulfanyl)furan-2(5H)-one
CID 336047
4-(Phenylthio)-1-oxaspiro[4.4]non-3-en-2-one
CID 586337
3-Phenylsulfanylbuta-1,3-dien-2-yl acetate
CID 12578985
1,1-Dimethyl-2-(phenylthio)-2,3-butadienyl acetate
CID 373326
(Phenylthio)acetic acid, 1-cyclopentylethyl ester
CID 533052
5,5-Dimethyl-4-(4-methylphenyl)sulfanylfuran-2-one
CID 10561683
(2-Methyl-3-phenylsulfanylbut-3-en-2-yl) acetate
CID 11715634
2-Acetoxy-2-methyl-1-phenylsulfinylbut-3-ene
CID 12436058
2,2-Dimethyl-4-phenylsulfanyl-1-oxaspiro[4.5]dec-3-ene
CID 13171788
2,2-Dimethyl-4-phenylsulfanyl-1-oxaspiro[4.4]non-3-ene
CID 13171789
2,2-Dimethyl-3-phenylsulfanyl-1-oxaspiro[4.5]dec-3-ene
CID 13171790
14-Phenylsulfanyl-6-oxadispiro[4.1.57.25]tetradec-13-ene
CID 13171792

Frequently Asked Questions

What is the IUPAC name of [1-(1-phenylsulfanylpropa-1,2-dienyl)cyclopentyl] acetate?
The IUPAC name of [1-(1-phenylsulfanylpropa-1,2-dienyl)cyclopentyl] acetate (CID 10934650) is [1-(1-phenylsulfanylpropa-1,2-dienyl)cyclopentyl] acetate.
What is the SMILES notation for [1-(1-phenylsulfanylpropa-1,2-dienyl)cyclopentyl] acetate?
The canonical SMILES for [1-(1-phenylsulfanylpropa-1,2-dienyl)cyclopentyl] acetate is C=C=C(Sc1ccccc1)C1(OC(C)=O)CCCC1.
What is the InChIKey of [1-(1-phenylsulfanylpropa-1,2-dienyl)cyclopentyl] acetate?
The InChIKey is GLBSOZQXDGNPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2S/c1-3-15(19-14-9-5-4-6-10-14)16(18-13(2)17)11-7-8-12-16/h4-6,9-10H,1,7-8,11-12H2,2H3.
What are the key properties of [1-(1-phenylsulfanylpropa-1,2-dienyl)cyclopentyl] acetate?
[1-(1-phenylsulfanylpropa-1,2-dienyl)cyclopentyl] acetate has a molecular weight of 274.38 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-phenylsulfanylpropa-1,2-dienyl)cyclopentyl] acetate is sourced from PubChem (CID 10934650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).