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

C16H24OS — CID 10611685

IUPAC(2S,3R)-4,4-dimethyl-2-(2-methylpropyl)-3-phenylsulfanyloxolane
SMILESCC(C)C[C@@H]1OCC(C)(C)[C@H]1Sc1ccccc1
InChIInChI=1S/C16H24OS/c1-12(2)10-14-15(16(3,4)11-17-14)18-13-8-6-5-7-9-13/h5-9,12,14-15H,10-11H2,1-4H3/t14-,15-/m0/s1
InChIKeyYXDWLRYLQJCNKH-GJZGRUSLSA-N
MW264.43 g/mol
LogP4.62
Rot. Bonds4

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

(2S,3R)-4,4-dimethyl-2-(2-methylpropyl)-3-phenylsulfanyloxolane (PubChem CID 10611685) has the molecular formula C16H24OS and a molecular weight of 264.43 g/mol. Its IUPAC name is (2S,3R)-4,4-dimethyl-2-(2-methylpropyl)-3-phenylsulfanyloxolane.

Molecular Properties

Compound Name(2S,3R)-4,4-dimethyl-2-(2-methylpropyl)-3-phenylsulfanyloxolane
PubChem CID10611685
Molecular FormulaC16H24OS
Molecular Weight264.43 g/mol
Exact Mass264.15
IUPAC Name(2S,3R)-4,4-dimethyl-2-(2-methylpropyl)-3-phenylsulfanyloxolane
SMILESCC(C)C[C@@H]1OCC(C)(C)[C@H]1Sc1ccccc1
InChIInChI=1S/C16H24OS/c1-12(2)10-14-15(16(3,4)11-17-14)18-13-8-6-5-7-9-13/h5-9,12,14-15H,10-11H2,1-4H3/t14-,15-/m0/s1
InChIKeyYXDWLRYLQJCNKH-GJZGRUSLSA-N
XLogP4.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.43
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,6,6-Trimethyl-3-(phenylthio)cyclohept-4-enol
CID 585064
2-(1-Phenylsulfanylcyclohexyl)oxolane
CID 11425510
3,5-Dimethyl-2-pentan-2-yl-4-phenylsulfanyl-2,3-dihydrofuran
CID 21581409
2,2-Dimethyl-5-(phenylthio)tetrahydrofuran
CID 361780
(3S,4S,6S)-2-ethyl-6-(4-fluorophenyl)sulfanyl-3,4,5-trimethyloxane
CID 174062837
Oxirane, 2,2-dimethyl-3-[3,7-dimethyl-9-(phenylthio)-3,7-nonadienyl]
CID 5367552
2,2-dimethyl-3-[(E)-3-methyl-5-phenylsulfanylpent-3-enyl]oxirane
CID 6536852
(2R)-2-[(2R)-2-methyl-4-phenylsulfanylbutyl]oxirane
CID 11276103
(2R,3S)-6-(benzenesulfonyl)-2-[(2S)-butan-2-yl]-3-methyloxane
CID 14608964
(2S,3S)-3-methyl-2-(1-phenylsulfanylcyclohexyl)oxetane
CID 15314914
(R)-(2-Methoxyoctyl)(phenyl)sulfane
CID 85090303
((5S,6R)-6-Methoxydecan-5-yl)(phenyl)sulfane
CID 85090306

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-4,4-dimethyl-2-(2-methylpropyl)-3-phenylsulfanyloxolane?
The IUPAC name of (2S,3R)-4,4-dimethyl-2-(2-methylpropyl)-3-phenylsulfanyloxolane (CID 10611685) is (2S,3R)-4,4-dimethyl-2-(2-methylpropyl)-3-phenylsulfanyloxolane.
What is the SMILES notation for (2S,3R)-4,4-dimethyl-2-(2-methylpropyl)-3-phenylsulfanyloxolane?
The canonical SMILES for (2S,3R)-4,4-dimethyl-2-(2-methylpropyl)-3-phenylsulfanyloxolane is CC(C)C[C@@H]1OCC(C)(C)[C@H]1Sc1ccccc1.
What is the InChIKey of (2S,3R)-4,4-dimethyl-2-(2-methylpropyl)-3-phenylsulfanyloxolane?
The InChIKey is YXDWLRYLQJCNKH-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H24OS/c1-12(2)10-14-15(16(3,4)11-17-14)18-13-8-6-5-7-9-13/h5-9,12,14-15H,10-11H2,1-4H3/t14-,15-/m0/s1.
What are the key properties of (2S,3R)-4,4-dimethyl-2-(2-methylpropyl)-3-phenylsulfanyloxolane?
(2S,3R)-4,4-dimethyl-2-(2-methylpropyl)-3-phenylsulfanyloxolane has a molecular weight of 264.43 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-4,4-dimethyl-2-(2-methylpropyl)-3-phenylsulfanyloxolane is sourced from PubChem (CID 10611685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).