[(4S,5S)-2,2-dimethyl-5-(2-methyl-1-phenylsulfanylpropan-2-yl)-1,3-dioxolan-4-yl]methanol

C16H24O3S — CID 11109242

IUPAC[(4S,5S)-2,2-dimethyl-5-(2-methyl-1-phenylsulfanylpropan-2-yl)-1,3-dioxolan-4-yl]methanol
SMILESCC1(C)O[C@@H](CO)[C@H](C(C)(C)CSc2ccccc2)O1
InChIInChI=1S/C16H24O3S/c1-15(2,11-20-12-8-6-5-7-9-12)14-13(10-17)18-16(3,4)19-14/h5-9,13-14,17H,10-11H2,1-4H3/t13-,14+/m0/s1
InChIKeyWLTGTVGYYGFVKI-UONOGXRCSA-N
MW296.43 g/mol
LogP3.32
Rot. Bonds5

About [(4S,5S)-2,2-dimethyl-5-(2-methyl-1-phenylsulfanylpropan-2-yl)-1,3-dioxolan-4-yl]methanol

[(4S,5S)-2,2-dimethyl-5-(2-methyl-1-phenylsulfanylpropan-2-yl)-1,3-dioxolan-4-yl]methanol (PubChem CID 11109242) has the molecular formula C16H24O3S and a molecular weight of 296.43 g/mol. Its IUPAC name is [(4S,5S)-2,2-dimethyl-5-(2-methyl-1-phenylsulfanylpropan-2-yl)-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[(4S,5S)-2,2-dimethyl-5-(2-methyl-1-phenylsulfanylpropan-2-yl)-1,3-dioxolan-4-yl]methanol
PubChem CID11109242
Molecular FormulaC16H24O3S
Molecular Weight296.43 g/mol
Exact Mass296.14
IUPAC Name[(4S,5S)-2,2-dimethyl-5-(2-methyl-1-phenylsulfanylpropan-2-yl)-1,3-dioxolan-4-yl]methanol
SMILESCC1(C)O[C@@H](CO)[C@H](C(C)(C)CSc2ccccc2)O1
InChIInChI=1S/C16H24O3S/c1-15(2,11-20-12-8-6-5-7-9-12)14-13(10-17)18-16(3,4)19-14/h5-9,13-14,17H,10-11H2,1-4H3/t13-,14+/m0/s1
InChIKeyWLTGTVGYYGFVKI-UONOGXRCSA-N
XLogP3.32
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(4S,5S)-2,2-dimethyl-5-(2-methyl-1-phenylsulfanylpropan-2-yl)-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [(4S,5S)-2,2-dimethyl-5-(2-methyl-1-phenylsulfanylpropan-2-yl)-1,3-dioxolan-4-yl]methanol (CID 11109242) is [(4S,5S)-2,2-dimethyl-5-(2-methyl-1-phenylsulfanylpropan-2-yl)-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [(4S,5S)-2,2-dimethyl-5-(2-methyl-1-phenylsulfanylpropan-2-yl)-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [(4S,5S)-2,2-dimethyl-5-(2-methyl-1-phenylsulfanylpropan-2-yl)-1,3-dioxolan-4-yl]methanol is CC1(C)O[C@@H](CO)[C@H](C(C)(C)CSc2ccccc2)O1.
What is the InChIKey of [(4S,5S)-2,2-dimethyl-5-(2-methyl-1-phenylsulfanylpropan-2-yl)-1,3-dioxolan-4-yl]methanol?
The InChIKey is WLTGTVGYYGFVKI-UONOGXRCSA-N. The full InChI is InChI=1S/C16H24O3S/c1-15(2,11-20-12-8-6-5-7-9-12)14-13(10-17)18-16(3,4)19-14/h5-9,13-14,17H,10-11H2,1-4H3/t13-,14+/m0/s1.
What are the key properties of [(4S,5S)-2,2-dimethyl-5-(2-methyl-1-phenylsulfanylpropan-2-yl)-1,3-dioxolan-4-yl]methanol?
[(4S,5S)-2,2-dimethyl-5-(2-methyl-1-phenylsulfanylpropan-2-yl)-1,3-dioxolan-4-yl]methanol has a molecular weight of 296.43 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5S)-2,2-dimethyl-5-(2-methyl-1-phenylsulfanylpropan-2-yl)-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 11109242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).