(3R)-3-benzyl-3-methyloxolan-2-one

C12H14O2 — CID 10261923

IUPAC(3R)-3-benzyl-3-methyloxolan-2-one
SMILESC[C@@]1(Cc2ccccc2)CCOC1=O
InChIInChI=1S/C12H14O2/c1-12(7-8-14-11(12)13)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3/t12-/m0/s1
InChIKeyQAGDSQLYVJNPBD-LBPRGKRZSA-N
MW190.24 g/mol
LogP2.18
Rot. Bonds2

About (3R)-3-benzyl-3-methyloxolan-2-one

(3R)-3-benzyl-3-methyloxolan-2-one (PubChem CID 10261923) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (3R)-3-benzyl-3-methyloxolan-2-one.

Molecular Properties

Compound Name(3R)-3-benzyl-3-methyloxolan-2-one
PubChem CID10261923
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name(3R)-3-benzyl-3-methyloxolan-2-one
SMILESC[C@@]1(Cc2ccccc2)CCOC1=O
InChIInChI=1S/C12H14O2/c1-12(7-8-14-11(12)13)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3/t12-/m0/s1
InChIKeyQAGDSQLYVJNPBD-LBPRGKRZSA-N
XLogP2.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-benzyl-3-methyloxolan-2-one?
The IUPAC name of (3R)-3-benzyl-3-methyloxolan-2-one (CID 10261923) is (3R)-3-benzyl-3-methyloxolan-2-one.
What is the SMILES notation for (3R)-3-benzyl-3-methyloxolan-2-one?
The canonical SMILES for (3R)-3-benzyl-3-methyloxolan-2-one is C[C@@]1(Cc2ccccc2)CCOC1=O.
What is the InChIKey of (3R)-3-benzyl-3-methyloxolan-2-one?
The InChIKey is QAGDSQLYVJNPBD-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H14O2/c1-12(7-8-14-11(12)13)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3/t12-/m0/s1.
What are the key properties of (3R)-3-benzyl-3-methyloxolan-2-one?
(3R)-3-benzyl-3-methyloxolan-2-one has a molecular weight of 190.24 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-benzyl-3-methyloxolan-2-one is sourced from PubChem (CID 10261923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).