[(2R)-2-(methoxymethyl)-3-methylbutyl]benzene

C13H20O — CID 58977165

IUPAC[(2R)-2-(methoxymethyl)-3-methylbutyl]benzene
SMILESCOC[C@H](Cc1ccccc1)C(C)C
InChIInChI=1S/C13H20O/c1-11(2)13(10-14-3)9-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3/t13-/m0/s1
InChIKeyNOOYNMCECTVYMI-ZDUSSCGKSA-N
MW192.30 g/mol
LogP3.15
Rot. Bonds5

About [(2R)-2-(methoxymethyl)-3-methylbutyl]benzene

[(2R)-2-(methoxymethyl)-3-methylbutyl]benzene (PubChem CID 58977165) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is [(2R)-2-(methoxymethyl)-3-methylbutyl]benzene.

Molecular Properties

Compound Name[(2R)-2-(methoxymethyl)-3-methylbutyl]benzene
PubChem CID58977165
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name[(2R)-2-(methoxymethyl)-3-methylbutyl]benzene
SMILESCOC[C@H](Cc1ccccc1)C(C)C
InChIInChI=1S/C13H20O/c1-11(2)13(10-14-3)9-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3/t13-/m0/s1
InChIKeyNOOYNMCECTVYMI-ZDUSSCGKSA-N
XLogP3.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-benzyl-3-methylbutyl)benzene
CID 22277918
[(2S)-2-ethyl-3-methylbutyl]benzene
CID 59911229
(2-benzyl-3-methylbutyl) carbamate
CID 67758924
2-benzyl-3-methylbutan-1-amine
CID 59900587
(4-methyl-2-propan-2-ylpentyl)benzene
CID 59105661
ethane;(2-ethyl-3-methylbutyl)benzene
CID 166139706
4-methoxy-3-methyl-1-phenylbutan-2-amine
CID 115625025
[(2S)-4-methoxy-2-methylbutyl]benzene
CID 70313401
2-(methoxymethoxy)propylbenzene
CID 11367357
[4-methoxy-2-(2-methoxyethyl)butyl]benzene
CID 175035100
[(1R,2S)-2-benzyl-1-deuterio-3-methoxypropyl]benzene
CID 136901487
2,3-dimethylbutylbenzene
CID 12054035

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(methoxymethyl)-3-methylbutyl]benzene?
The IUPAC name of [(2R)-2-(methoxymethyl)-3-methylbutyl]benzene (CID 58977165) is [(2R)-2-(methoxymethyl)-3-methylbutyl]benzene.
What is the SMILES notation for [(2R)-2-(methoxymethyl)-3-methylbutyl]benzene?
The canonical SMILES for [(2R)-2-(methoxymethyl)-3-methylbutyl]benzene is COC[C@H](Cc1ccccc1)C(C)C.
What is the InChIKey of [(2R)-2-(methoxymethyl)-3-methylbutyl]benzene?
The InChIKey is NOOYNMCECTVYMI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H20O/c1-11(2)13(10-14-3)9-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3/t13-/m0/s1.
What are the key properties of [(2R)-2-(methoxymethyl)-3-methylbutyl]benzene?
[(2R)-2-(methoxymethyl)-3-methylbutyl]benzene has a molecular weight of 192.30 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(methoxymethyl)-3-methylbutyl]benzene is sourced from PubChem (CID 58977165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).