(3S,5S)-3,5-dimethyl-5-phenyloxolan-2-one

C12H14O2 — CID 11745429

IUPAC(3S,5S)-3,5-dimethyl-5-phenyloxolan-2-one
SMILESC[C@H]1C[C@@](C)(c2ccccc2)OC1=O
InChIInChI=1S/C12H14O2/c1-9-8-12(2,14-11(9)13)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3/t9-,12-/m0/s1
InChIKeyBQZKDWCIFAWXHY-CABZTGNLSA-N
MW190.24 g/mol
LogP2.48
Rot. Bonds1

About (3S,5S)-3,5-dimethyl-5-phenyloxolan-2-one

(3S,5S)-3,5-dimethyl-5-phenyloxolan-2-one (PubChem CID 11745429) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (3S,5S)-3,5-dimethyl-5-phenyloxolan-2-one.

Molecular Properties

Compound Name(3S,5S)-3,5-dimethyl-5-phenyloxolan-2-one
PubChem CID11745429
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name(3S,5S)-3,5-dimethyl-5-phenyloxolan-2-one
SMILESC[C@H]1C[C@@](C)(c2ccccc2)OC1=O
InChIInChI=1S/C12H14O2/c1-9-8-12(2,14-11(9)13)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3/t9-,12-/m0/s1
InChIKeyBQZKDWCIFAWXHY-CABZTGNLSA-N
XLogP2.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-5-methyl-5-phenyloxolan-2-one
CID 12521154
(3R,5R)-5-(1,3-benzodioxol-5-yl)-3,5-dimethyloxolan-2-one
CID 101087163
2,4-dimethyl-2-phenyl-3,4-dihydropyran
CID 86735403
bicyclo[3.1.0]hexa-1(6),2,4-triene;4-hydroxy-6-methyl-6-phenyloxan-2-one
CID 67752422
2,5-dimethyl-2-phenyl-1,3-dioxolan-4-one
CID 14546285
(6R)-6-methyl-6-phenyloxan-2-one
CID 100971522
(2S)-2-methyl-2-phenyloxirane
CID 11629614
2,3-dimethyl-3-phenylcyclobutan-1-one
CID 131076191
5-iodo-2-[[(3S,5S)-5-methyl-2-oxo-5-phenyloxolan-3-yl]amino]benzoic acid
CID 42578699
(2R,5R)-2,5-dimethyl-2,5-diphenyl-1,4-dioxane
CID 1203325
(2S)-2-methyl-2-phenyl-3,4-dihydropyran-4-ol
CID 100966337
(3S,4R,5S)-4-bromo-3,5-dimethyl-5-phenyloxolan-2-one
CID 102515567

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-3,5-dimethyl-5-phenyloxolan-2-one?
The IUPAC name of (3S,5S)-3,5-dimethyl-5-phenyloxolan-2-one (CID 11745429) is (3S,5S)-3,5-dimethyl-5-phenyloxolan-2-one.
What is the SMILES notation for (3S,5S)-3,5-dimethyl-5-phenyloxolan-2-one?
The canonical SMILES for (3S,5S)-3,5-dimethyl-5-phenyloxolan-2-one is C[C@H]1C[C@@](C)(c2ccccc2)OC1=O.
What is the InChIKey of (3S,5S)-3,5-dimethyl-5-phenyloxolan-2-one?
The InChIKey is BQZKDWCIFAWXHY-CABZTGNLSA-N. The full InChI is InChI=1S/C12H14O2/c1-9-8-12(2,14-11(9)13)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3/t9-,12-/m0/s1.
What are the key properties of (3S,5S)-3,5-dimethyl-5-phenyloxolan-2-one?
(3S,5S)-3,5-dimethyl-5-phenyloxolan-2-one has a molecular weight of 190.24 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-3,5-dimethyl-5-phenyloxolan-2-one is sourced from PubChem (CID 11745429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).