[(2R)-1-deuterio-2-(methoxymethyl)-3,3-dimethylbutyl]benzene

C14H22O — CID 100952934

IUPAC[(2R)-1-deuterio-2-(methoxymethyl)-3,3-dimethylbutyl]benzene
SMILES[2H]C(c1ccccc1)[C@@H](COC)C(C)(C)C
InChIInChI=1S/C14H22O/c1-14(2,3)13(11-15-4)10-12-8-6-5-7-9-12/h5-9,13H,10-11H2,1-4H3/t13-/m0/s1/i10D/t10?,13-
InChIKeyZROINGILSNSRQK-VYJJGVQPSA-N
MW207.34 g/mol
LogP3.54
Rot. Bonds4

About [(2R)-1-deuterio-2-(methoxymethyl)-3,3-dimethylbutyl]benzene

[(2R)-1-deuterio-2-(methoxymethyl)-3,3-dimethylbutyl]benzene (PubChem CID 100952934) has the molecular formula C14H22O and a molecular weight of 207.34 g/mol. Its IUPAC name is [(2R)-1-deuterio-2-(methoxymethyl)-3,3-dimethylbutyl]benzene.

Molecular Properties

Compound Name[(2R)-1-deuterio-2-(methoxymethyl)-3,3-dimethylbutyl]benzene
PubChem CID100952934
Molecular FormulaC14H22O
Molecular Weight207.34 g/mol
Exact Mass207.17
IUPAC Name[(2R)-1-deuterio-2-(methoxymethyl)-3,3-dimethylbutyl]benzene
SMILES[2H]C(c1ccccc1)[C@@H](COC)C(C)(C)C
InChIInChI=1S/C14H22O/c1-14(2,3)13(11-15-4)10-12-8-6-5-7-9-12/h5-9,13H,10-11H2,1-4H3/t13-/m0/s1/i10D/t10?,13-
InChIKeyZROINGILSNSRQK-VYJJGVQPSA-N
XLogP3.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(1R,2S)-2-benzyl-1-deuterio-3-methoxypropyl]benzene
CID 136901487
[deuterio(2-methoxyethoxy)methyl]benzene
CID 10942826
[(2R)-2-(methoxymethyl)-3-methylbutyl]benzene
CID 58977165
N-benzyl-N-(1-methoxypropan-2-yl)-2,2-dimethylpropanamide
CID 117060748
tert-butyl-[(2R,3S)-3-deuterio-2-methyl-3-phenylpropoxy]-dimethylsilane
CID 177106743
methyl (2S,3R)-2-acetamido-2,3-dideuterio-3-phenylpropanoate
CID 11368070
(3-deuterio-2-hydroxy-3-phenylpropyl) acetate
CID 46930895
(2S)-2-benzyl-3,3-dimethylbutan-1-ol
CID 11805570
(2R)-2-(dibenzylamino)-3-hydroxy-2-methylpropanoic acid;(2S)-2-fluoro-3-methoxypropan-1-amine
CID 175791945
2-methoxyethylbenzene
CID 19089
benzene;2-methoxy-1-phenylethanol
CID 174622919
(3-tert-butyl-4,4-dimethylpentyl)benzene
CID 54223968

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-deuterio-2-(methoxymethyl)-3,3-dimethylbutyl]benzene?
The IUPAC name of [(2R)-1-deuterio-2-(methoxymethyl)-3,3-dimethylbutyl]benzene (CID 100952934) is [(2R)-1-deuterio-2-(methoxymethyl)-3,3-dimethylbutyl]benzene.
What is the SMILES notation for [(2R)-1-deuterio-2-(methoxymethyl)-3,3-dimethylbutyl]benzene?
The canonical SMILES for [(2R)-1-deuterio-2-(methoxymethyl)-3,3-dimethylbutyl]benzene is [2H]C(c1ccccc1)[C@@H](COC)C(C)(C)C.
What is the InChIKey of [(2R)-1-deuterio-2-(methoxymethyl)-3,3-dimethylbutyl]benzene?
The InChIKey is ZROINGILSNSRQK-VYJJGVQPSA-N. The full InChI is InChI=1S/C14H22O/c1-14(2,3)13(11-15-4)10-12-8-6-5-7-9-12/h5-9,13H,10-11H2,1-4H3/t13-/m0/s1/i10D/t10?,13-.
What are the key properties of [(2R)-1-deuterio-2-(methoxymethyl)-3,3-dimethylbutyl]benzene?
[(2R)-1-deuterio-2-(methoxymethyl)-3,3-dimethylbutyl]benzene has a molecular weight of 207.34 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-deuterio-2-(methoxymethyl)-3,3-dimethylbutyl]benzene is sourced from PubChem (CID 100952934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).