(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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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).