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

C15H22OS — CID 10562665

IUPAC(2R,3R,4S)-4-methyl-2-(2-methylpropyl)-3-phenylsulfanyloxolane
SMILESCC(C)C[C@H]1OC[C@H](C)[C@H]1Sc1ccccc1
InChIInChI=1S/C15H22OS/c1-11(2)9-14-15(12(3)10-16-14)17-13-7-5-4-6-8-13/h4-8,11-12,14-15H,9-10H2,1-3H3/t12-,14+,15+/m0/s1
InChIKeyKMIDRMIZSOBKGV-NWANDNLSSA-N
MW250.41 g/mol
LogP4.23
Rot. Bonds4

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

(2R,3R,4S)-4-methyl-2-(2-methylpropyl)-3-phenylsulfanyloxolane (PubChem CID 10562665) has the molecular formula C15H22OS and a molecular weight of 250.41 g/mol. Its IUPAC name is (2R,3R,4S)-4-methyl-2-(2-methylpropyl)-3-phenylsulfanyloxolane.

Molecular Properties

Compound Name(2R,3R,4S)-4-methyl-2-(2-methylpropyl)-3-phenylsulfanyloxolane
PubChem CID10562665
Molecular FormulaC15H22OS
Molecular Weight250.41 g/mol
Exact Mass250.14
IUPAC Name(2R,3R,4S)-4-methyl-2-(2-methylpropyl)-3-phenylsulfanyloxolane
SMILESCC(C)C[C@H]1OC[C@H](C)[C@H]1Sc1ccccc1
InChIInChI=1S/C15H22OS/c1-11(2)9-14-15(12(3)10-16-14)17-13-7-5-4-6-8-13/h4-8,11-12,14-15H,9-10H2,1-3H3/t12-,14+,15+/m0/s1
InChIKeyKMIDRMIZSOBKGV-NWANDNLSSA-N
XLogP4.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-4-methyl-2-(2-methylpropyl)-3-phenylsulfanyloxolane?
The IUPAC name of (2R,3R,4S)-4-methyl-2-(2-methylpropyl)-3-phenylsulfanyloxolane (CID 10562665) is (2R,3R,4S)-4-methyl-2-(2-methylpropyl)-3-phenylsulfanyloxolane.
What is the SMILES notation for (2R,3R,4S)-4-methyl-2-(2-methylpropyl)-3-phenylsulfanyloxolane?
The canonical SMILES for (2R,3R,4S)-4-methyl-2-(2-methylpropyl)-3-phenylsulfanyloxolane is CC(C)C[C@H]1OC[C@H](C)[C@H]1Sc1ccccc1.
What is the InChIKey of (2R,3R,4S)-4-methyl-2-(2-methylpropyl)-3-phenylsulfanyloxolane?
The InChIKey is KMIDRMIZSOBKGV-NWANDNLSSA-N. The full InChI is InChI=1S/C15H22OS/c1-11(2)9-14-15(12(3)10-16-14)17-13-7-5-4-6-8-13/h4-8,11-12,14-15H,9-10H2,1-3H3/t12-,14+,15+/m0/s1.
What are the key properties of (2R,3R,4S)-4-methyl-2-(2-methylpropyl)-3-phenylsulfanyloxolane?
(2R,3R,4S)-4-methyl-2-(2-methylpropyl)-3-phenylsulfanyloxolane has a molecular weight of 250.41 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-4-methyl-2-(2-methylpropyl)-3-phenylsulfanyloxolane is sourced from PubChem (CID 10562665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).