(2S,3R,4R)-2-ethyl-2,4-dimethyl-3-phenylsulfanyloxolane

C14H20OS — CID 10681320

IUPAC(2S,3R,4R)-2-ethyl-2,4-dimethyl-3-phenylsulfanyloxolane
SMILESCC[C@]1(C)OC[C@@H](C)[C@H]1Sc1ccccc1
InChIInChI=1S/C14H20OS/c1-4-14(3)13(11(2)10-15-14)16-12-8-6-5-7-9-12/h5-9,11,13H,4,10H2,1-3H3/t11-,13-,14+/m1/s1
InChIKeyFKKBJPUMZOHSRM-BNOWGMLFSA-N
MW236.38 g/mol
LogP3.98
Rot. Bonds3

About (2S,3R,4R)-2-ethyl-2,4-dimethyl-3-phenylsulfanyloxolane

(2S,3R,4R)-2-ethyl-2,4-dimethyl-3-phenylsulfanyloxolane (PubChem CID 10681320) has the molecular formula C14H20OS and a molecular weight of 236.38 g/mol. Its IUPAC name is (2S,3R,4R)-2-ethyl-2,4-dimethyl-3-phenylsulfanyloxolane.

Molecular Properties

Compound Name(2S,3R,4R)-2-ethyl-2,4-dimethyl-3-phenylsulfanyloxolane
PubChem CID10681320
Molecular FormulaC14H20OS
Molecular Weight236.38 g/mol
Exact Mass236.12
IUPAC Name(2S,3R,4R)-2-ethyl-2,4-dimethyl-3-phenylsulfanyloxolane
SMILESCC[C@]1(C)OC[C@@H](C)[C@H]1Sc1ccccc1
InChIInChI=1S/C14H20OS/c1-4-14(3)13(11(2)10-15-14)16-12-8-6-5-7-9-12/h5-9,11,13H,4,10H2,1-3H3/t11-,13-,14+/m1/s1
InChIKeyFKKBJPUMZOHSRM-BNOWGMLFSA-N
XLogP3.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Phenylthio)tetrahydrofuran
CID 361776
1-Butoxy-2-phenylmercaptoethane
CID 271491
4-Methyl-2-(phenylthio)tetrahydro-2H-pyran
CID 361775
2-[(Phenylsulfanyl)methyl]oxane
CID 13757446
(2R,3S)-6-(benzenesulfonyl)-2,3-dimethyloxane
CID 14446823
5-Phenylsulfanyl-1-oxaspiro[5.5]undecane
CID 15456622
3,5-Dimethyl-2-pentan-2-yl-4-phenylsulfanyl-2,3-dihydrofuran
CID 21581409
2-[(Phenylsulfanyl)methyl]tetrahydrofuran
CID 3337920
2-(Benzylsulfanylmethyl)oxolane
CID 126611605
4,4-Dimethyl-2-(phenylthio)tetrahydro-2H-pyran
CID 361777
2,2-Dimethyl-5-(phenylthio)tetrahydrofuran
CID 361780
2-Fluoro-4-methoxy-5,6-dimethyl-3-phenylsulfanyloxane
CID 18729283

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R)-2-ethyl-2,4-dimethyl-3-phenylsulfanyloxolane?
The IUPAC name of (2S,3R,4R)-2-ethyl-2,4-dimethyl-3-phenylsulfanyloxolane (CID 10681320) is (2S,3R,4R)-2-ethyl-2,4-dimethyl-3-phenylsulfanyloxolane.
What is the SMILES notation for (2S,3R,4R)-2-ethyl-2,4-dimethyl-3-phenylsulfanyloxolane?
The canonical SMILES for (2S,3R,4R)-2-ethyl-2,4-dimethyl-3-phenylsulfanyloxolane is CC[C@]1(C)OC[C@@H](C)[C@H]1Sc1ccccc1.
What is the InChIKey of (2S,3R,4R)-2-ethyl-2,4-dimethyl-3-phenylsulfanyloxolane?
The InChIKey is FKKBJPUMZOHSRM-BNOWGMLFSA-N. The full InChI is InChI=1S/C14H20OS/c1-4-14(3)13(11(2)10-15-14)16-12-8-6-5-7-9-12/h5-9,11,13H,4,10H2,1-3H3/t11-,13-,14+/m1/s1.
What are the key properties of (2S,3R,4R)-2-ethyl-2,4-dimethyl-3-phenylsulfanyloxolane?
(2S,3R,4R)-2-ethyl-2,4-dimethyl-3-phenylsulfanyloxolane has a molecular weight of 236.38 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R)-2-ethyl-2,4-dimethyl-3-phenylsulfanyloxolane is sourced from PubChem (CID 10681320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).