2-(1-phenylsulfanylcyclohexyl)oxolane

C16H22OS — CID 11425510

IUPAC2-(1-phenylsulfanylcyclohexyl)oxolane
SMILESc1ccc(SC2(C3CCCO3)CCCCC2)cc1
InChIInChI=1S/C16H22OS/c1-3-8-14(9-4-1)18-16(11-5-2-6-12-16)15-10-7-13-17-15/h1,3-4,8-9,15H,2,5-7,10-13H2
InChIKeyNLIMKCGEUYNYSO-UHFFFAOYSA-N
MW262.42 g/mol
LogP4.66
Rot. Bonds3

About 2-(1-phenylsulfanylcyclohexyl)oxolane

2-(1-phenylsulfanylcyclohexyl)oxolane (PubChem CID 11425510) has the molecular formula C16H22OS and a molecular weight of 262.42 g/mol. Its IUPAC name is 2-(1-phenylsulfanylcyclohexyl)oxolane.

Molecular Properties

Compound Name2-(1-phenylsulfanylcyclohexyl)oxolane
PubChem CID11425510
Molecular FormulaC16H22OS
Molecular Weight262.42 g/mol
Exact Mass262.14
IUPAC Name2-(1-phenylsulfanylcyclohexyl)oxolane
SMILESc1ccc(SC2(C3CCCO3)CCCCC2)cc1
InChIInChI=1S/C16H22OS/c1-3-8-14(9-4-1)18-16(11-5-2-6-12-16)15-10-7-13-17-15/h1,3-4,8-9,15H,2,5-7,10-13H2
InChIKeyNLIMKCGEUYNYSO-UHFFFAOYSA-N
XLogP4.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-Phenylsulfanylcyclohexyl)butane-1,4-diol
CID 11242975
5-Phenylsulfanyl-1-oxaspiro[5.5]undecane
CID 15456622
3,5-Dimethyl-2-pentan-2-yl-4-phenylsulfanyl-2,3-dihydrofuran
CID 21581409
Endo,endo-2,5-bis(phenylsulfenyl)-9-oxabicyclo[4.2.1]nonane
CID 101937153
2-Methyl-3-phenylsulfanyl-3a,4,5,6,7,7a-hexahydro-1-benzofuran
CID 10538407
2,2-Dimethyl-4-phenylsulfanyl-1-oxaspiro[4.5]dec-3-ene
CID 13171788
2,2-Dimethyl-3-phenylsulfanyl-1-oxaspiro[4.5]dec-3-ene
CID 13171790
(2S,3S)-3-methyl-2-(1-phenylsulfanylcyclohexyl)oxetane
CID 15314914
3-[(1R,2R,4S,5S)-4-(2-hydroxyethyl)-5-phenylsulfanyl-3-oxabicyclo[3.1.0]hexan-2-yl]propan-1-ol
CID 15429828
(2S,3R)-2-(3,7-dimethyloctyl)-2-methyl-3-(phenylsulfanylmethyl)oxirane
CID 134881675
(2S,3S)-3-methyl-2-(1-phenylsulfanylcyclopentyl)oxetane
CID 134927612
(2S,3R)-3-methyl-2-(1-phenylsulfanylcyclopentyl)oxetane
CID 134927737

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylsulfanylcyclohexyl)oxolane?
The IUPAC name of 2-(1-phenylsulfanylcyclohexyl)oxolane (CID 11425510) is 2-(1-phenylsulfanylcyclohexyl)oxolane.
What is the SMILES notation for 2-(1-phenylsulfanylcyclohexyl)oxolane?
The canonical SMILES for 2-(1-phenylsulfanylcyclohexyl)oxolane is c1ccc(SC2(C3CCCO3)CCCCC2)cc1.
What is the InChIKey of 2-(1-phenylsulfanylcyclohexyl)oxolane?
The InChIKey is NLIMKCGEUYNYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22OS/c1-3-8-14(9-4-1)18-16(11-5-2-6-12-16)15-10-7-13-17-15/h1,3-4,8-9,15H,2,5-7,10-13H2.
What are the key properties of 2-(1-phenylsulfanylcyclohexyl)oxolane?
2-(1-phenylsulfanylcyclohexyl)oxolane has a molecular weight of 262.42 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylsulfanylcyclohexyl)oxolane is sourced from PubChem (CID 11425510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).