(2S,3R)-3-benzyl-2-methyloxolane

C12H16O — CID 134904924

IUPAC(2S,3R)-3-benzyl-2-methyloxolane
SMILESC[C@@H]1OCC[C@H]1Cc1ccccc1
InChIInChI=1S/C12H16O/c1-10-12(7-8-13-10)9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/t10-,12-/m0/s1
InChIKeyQLVJMWSFTOADQN-JQWIXIFHSA-N
MW176.26 g/mol
LogP2.65
Rot. Bonds2

About (2S,3R)-3-benzyl-2-methyloxolane

(2S,3R)-3-benzyl-2-methyloxolane (PubChem CID 134904924) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is (2S,3R)-3-benzyl-2-methyloxolane.

Molecular Properties

Compound Name(2S,3R)-3-benzyl-2-methyloxolane
PubChem CID134904924
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name(2S,3R)-3-benzyl-2-methyloxolane
SMILESC[C@@H]1OCC[C@H]1Cc1ccccc1
InChIInChI=1S/C12H16O/c1-10-12(7-8-13-10)9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/t10-,12-/m0/s1
InChIKeyQLVJMWSFTOADQN-JQWIXIFHSA-N
XLogP2.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-benzyl-2-methyloxolane?
The IUPAC name of (2S,3R)-3-benzyl-2-methyloxolane (CID 134904924) is (2S,3R)-3-benzyl-2-methyloxolane.
What is the SMILES notation for (2S,3R)-3-benzyl-2-methyloxolane?
The canonical SMILES for (2S,3R)-3-benzyl-2-methyloxolane is C[C@@H]1OCC[C@H]1Cc1ccccc1.
What is the InChIKey of (2S,3R)-3-benzyl-2-methyloxolane?
The InChIKey is QLVJMWSFTOADQN-JQWIXIFHSA-N. The full InChI is InChI=1S/C12H16O/c1-10-12(7-8-13-10)9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/t10-,12-/m0/s1.
What are the key properties of (2S,3R)-3-benzyl-2-methyloxolane?
(2S,3R)-3-benzyl-2-methyloxolane has a molecular weight of 176.26 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-benzyl-2-methyloxolane is sourced from PubChem (CID 134904924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).