(2R,5S)-5-benzyl-2-methyloxane

C13H18O — CID 15352618

IUPAC(2R,5S)-5-benzyl-2-methyloxane
SMILESC[C@@H]1CC[C@@H](Cc2ccccc2)CO1
InChIInChI=1S/C13H18O/c1-11-7-8-13(10-14-11)9-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3/t11-,13+/m1/s1
InChIKeyWMPBWOPPJNUQQQ-YPMHNXCESA-N
MW190.29 g/mol
LogP3.04
Rot. Bonds2

About (2R,5S)-5-benzyl-2-methyloxane

(2R,5S)-5-benzyl-2-methyloxane (PubChem CID 15352618) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is (2R,5S)-5-benzyl-2-methyloxane.

Molecular Properties

Compound Name(2R,5S)-5-benzyl-2-methyloxane
PubChem CID15352618
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name(2R,5S)-5-benzyl-2-methyloxane
SMILESC[C@@H]1CC[C@@H](Cc2ccccc2)CO1
InChIInChI=1S/C13H18O/c1-11-7-8-13(10-14-11)9-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3/t11-,13+/m1/s1
InChIKeyWMPBWOPPJNUQQQ-YPMHNXCESA-N
XLogP3.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2R,5S)-5-benzyl-2-methyloxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-5-[(4-methylphenyl)methyl]oxane
CID 123844175
cyclopropylmethylbenzene;ethane;methane
CID 142248267
4-benzyl-2-methoxyoxolane
CID 90688543
(2S,5R)-5-benzyl-2-methylpiperidine
CID 130765176
5-benzyl-2-methylcyclohexan-1-ol
CID 174712973
1,1'-biphenyl;2-methyloxirane
CID 87315109
butane;cyclopentylmethylbenzene
CID 143522605
(2R,4R)-2-benzyl-4-methyloxolane
CID 101159192
4-benzyl-1-(4-methylphenyl)piperidine
CID 101028203
4-benzyl-2-methyl-1,3-oxazolidine
CID 82280019
ethylbenzene;2-methyloxane
CID 159203752
(2S)-2-methyl-5-[(2S)-1-phenylmethoxypropan-2-yl]oxyoxane
CID 163402353

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-benzyl-2-methyloxane?
The IUPAC name of (2R,5S)-5-benzyl-2-methyloxane (CID 15352618) is (2R,5S)-5-benzyl-2-methyloxane.
What is the SMILES notation for (2R,5S)-5-benzyl-2-methyloxane?
The canonical SMILES for (2R,5S)-5-benzyl-2-methyloxane is C[C@@H]1CC[C@@H](Cc2ccccc2)CO1.
What is the InChIKey of (2R,5S)-5-benzyl-2-methyloxane?
The InChIKey is WMPBWOPPJNUQQQ-YPMHNXCESA-N. The full InChI is InChI=1S/C13H18O/c1-11-7-8-13(10-14-11)9-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3/t11-,13+/m1/s1.
What are the key properties of (2R,5S)-5-benzyl-2-methyloxane?
(2R,5S)-5-benzyl-2-methyloxane has a molecular weight of 190.29 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-benzyl-2-methyloxane is sourced from PubChem (CID 15352618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).