(2R,4R)-2-benzyl-4-methyloxolane

C12H16O — CID 101159192

IUPAC(2R,4R)-2-benzyl-4-methyloxolane
SMILESC[C@H]1CO[C@@H](Cc2ccccc2)C1
InChIInChI=1S/C12H16O/c1-10-7-12(13-9-10)8-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/t10-,12-/m1/s1
InChIKeyLXNRPRHXFIXJHD-ZYHUDNBSSA-N
MW176.26 g/mol
LogP2.65
Rot. Bonds2

About (2R,4R)-2-benzyl-4-methyloxolane

(2R,4R)-2-benzyl-4-methyloxolane (PubChem CID 101159192) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is (2R,4R)-2-benzyl-4-methyloxolane.

Molecular Properties

Compound Name(2R,4R)-2-benzyl-4-methyloxolane
PubChem CID101159192
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name(2R,4R)-2-benzyl-4-methyloxolane
SMILESC[C@H]1CO[C@@H](Cc2ccccc2)C1
InChIInChI=1S/C12H16O/c1-10-7-12(13-9-10)8-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/t10-,12-/m1/s1
InChIKeyLXNRPRHXFIXJHD-ZYHUDNBSSA-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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Related Compounds

(2S,4R)-4-tert-butyl-2-[(4-phenylphenyl)methyl]oxolane
CID 11392267
1-(2-benzyl-5-methylmorpholin-4-yl)propan-1-one
CID 110643992
2-benzyl-1,4-dioxane
CID 12910406
3-benzyl-2,3,4a,8a-tetrahydro-1,4-benzodioxine
CID 67923705
(2-benzyl-5-methylmorpholin-4-yl)-cyclopentylmethanone
CID 110643999
(2-benzyl-5-methylmorpholin-4-yl)-(2-methylphenyl)methanone
CID 110644004
(2S,4S,5S)-5-benzyl-2-(trimethylsilylmethyl)oxan-4-ol
CID 15856891
4-(benzenesulfonyl)-2-benzyl-5-methylmorpholine
CID 110644067
2-benzyl-4-benzylsulfonyl-5-methylmorpholine
CID 110644092
4-benzyl-2-methyl-1,3-oxazolidine
CID 82280019
2-benzyl-4,4-dimethyloxolane
CID 102308399
methyl-bis[4-(oxiran-2-ylmethyl)phenyl]-phenylsilane
CID 59467325

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-benzyl-4-methyloxolane?
The IUPAC name of (2R,4R)-2-benzyl-4-methyloxolane (CID 101159192) is (2R,4R)-2-benzyl-4-methyloxolane.
What is the SMILES notation for (2R,4R)-2-benzyl-4-methyloxolane?
The canonical SMILES for (2R,4R)-2-benzyl-4-methyloxolane is C[C@H]1CO[C@@H](Cc2ccccc2)C1.
What is the InChIKey of (2R,4R)-2-benzyl-4-methyloxolane?
The InChIKey is LXNRPRHXFIXJHD-ZYHUDNBSSA-N. The full InChI is InChI=1S/C12H16O/c1-10-7-12(13-9-10)8-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/t10-,12-/m1/s1.
What are the key properties of (2R,4R)-2-benzyl-4-methyloxolane?
(2R,4R)-2-benzyl-4-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 (2R,4R)-2-benzyl-4-methyloxolane is sourced from PubChem (CID 101159192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).