4-(1-phenylsulfanylcyclohexyl)-1,3-dioxolan-2-one

C15H18O3S — CID 11425929

IUPAC4-(1-phenylsulfanylcyclohexyl)-1,3-dioxolan-2-one
SMILESO=C1OCC(C2(Sc3ccccc3)CCCCC2)O1
InChIInChI=1S/C15H18O3S/c16-14-17-11-13(18-14)15(9-5-2-6-10-15)19-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2
InChIKeyOEYRQTZFJFMVNJ-UHFFFAOYSA-N
MW278.37 g/mol
LogP4.02
Rot. Bonds3

About 4-(1-phenylsulfanylcyclohexyl)-1,3-dioxolan-2-one

4-(1-phenylsulfanylcyclohexyl)-1,3-dioxolan-2-one (PubChem CID 11425929) has the molecular formula C15H18O3S and a molecular weight of 278.37 g/mol. Its IUPAC name is 4-(1-phenylsulfanylcyclohexyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-(1-phenylsulfanylcyclohexyl)-1,3-dioxolan-2-one
PubChem CID11425929
Molecular FormulaC15H18O3S
Molecular Weight278.37 g/mol
Exact Mass278.10
IUPAC Name4-(1-phenylsulfanylcyclohexyl)-1,3-dioxolan-2-one
SMILESO=C1OCC(C2(Sc3ccccc3)CCCCC2)O1
InChIInChI=1S/C15H18O3S/c16-14-17-11-13(18-14)15(9-5-2-6-10-15)19-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2
InChIKeyOEYRQTZFJFMVNJ-UHFFFAOYSA-N
XLogP4.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-Phenylsulfanylcyclohexyl)oxolane
CID 11425510
2-Methyl-2-(2-methyl-2-phenylsulfanylpropyl)-1,3-dioxolane
CID 15122645
(2R,3R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyl-6-phenylsulfanyl-3,4-dihydro-2H-pyran
CID 16119967
9-(3-Phenylsulfanylpropyl)-1,4-dioxaspiro[4.4]nonane
CID 11129631
17'-Phenylsulfanylspiro[1,3-dioxolane-2,8'-bicyclo[14.1.0]heptadecane]
CID 11211816
2-(1-Phenylsulfanylcyclohexyl)oxirane
CID 15456623
4-(1-Phenylsulfanylcyclohexyl)-1,3-dioxan-2-one
CID 11335332
5,5-Dimethyl-4-(1-phenylsulfanylcyclohexyl)-1,3-dioxan-2-one
CID 101257214
4-(1-Phenylsulfanylcyclohexyl)-1,3-dioxepan-2-one
CID 101257215
4-(1-Phenylsulfanylcyclohexyl)-1,3-dioxol-2-one
CID 141356895
Ethyl [2-(4-propylphenyl)sulfanylcyclohexyl] carbonate
CID 141418698
4-(1-Phenylsulfanylcyclohexyl)-1,3-dioxepane
CID 142730667

Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylsulfanylcyclohexyl)-1,3-dioxolan-2-one?
The IUPAC name of 4-(1-phenylsulfanylcyclohexyl)-1,3-dioxolan-2-one (CID 11425929) is 4-(1-phenylsulfanylcyclohexyl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4-(1-phenylsulfanylcyclohexyl)-1,3-dioxolan-2-one?
The canonical SMILES for 4-(1-phenylsulfanylcyclohexyl)-1,3-dioxolan-2-one is O=C1OCC(C2(Sc3ccccc3)CCCCC2)O1.
What is the InChIKey of 4-(1-phenylsulfanylcyclohexyl)-1,3-dioxolan-2-one?
The InChIKey is OEYRQTZFJFMVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3S/c16-14-17-11-13(18-14)15(9-5-2-6-10-15)19-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2.
What are the key properties of 4-(1-phenylsulfanylcyclohexyl)-1,3-dioxolan-2-one?
4-(1-phenylsulfanylcyclohexyl)-1,3-dioxolan-2-one has a molecular weight of 278.37 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylsulfanylcyclohexyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 11425929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).