1-deuterio-2-(2-methylpropyl)benzene

C10H14 — CID 18666415

IUPAC1-deuterio-2-(2-methylpropyl)benzene
SMILES[2H]c1ccccc1CC(C)C
InChIInChI=1S/C10H14/c1-9(2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3/i6D
InChIKeyKXUHSQYYJYAXGZ-RAMDWTOOSA-N
MW135.23 g/mol
LogP2.89
Rot. Bonds2

About 1-deuterio-2-(2-methylpropyl)benzene

1-deuterio-2-(2-methylpropyl)benzene (PubChem CID 18666415) has the molecular formula C10H14 and a molecular weight of 135.23 g/mol. Its IUPAC name is 1-deuterio-2-(2-methylpropyl)benzene.

Molecular Properties

Compound Name1-deuterio-2-(2-methylpropyl)benzene
PubChem CID18666415
Molecular FormulaC10H14
Molecular Weight135.23 g/mol
Exact Mass135.12
IUPAC Name1-deuterio-2-(2-methylpropyl)benzene
SMILES[2H]c1ccccc1CC(C)C
InChIInChI=1S/C10H14/c1-9(2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3/i6D
InChIKeyKXUHSQYYJYAXGZ-RAMDWTOOSA-N
XLogP2.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.23
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;2-methylpropylbenzene
CID 162200929
methane;2-methylpropylbenzene;pentane
CID 162015938
1-(2-methylpropyl)-4-(2-phenylethyl)benzene
CID 56625667
1-fluoro-4-(2-methylpropyl)benzene;2-methylpropylbenzene
CID 145233135
formic acid;2-methylpropylbenzene
CID 162001374
bis(2,3-dimethylbutane);bis(2-methylpropane);bis(2-methylpropan-1-ol);bis(2-methylpropylbenzene)
CID 162250352
(1,1-dideuterio-2-methylpropyl)benzene
CID 169068031
2-benzyl-N-(2-methylpropyl)-3-phenylpropan-1-amine
CID 63496022
3-methyl-1-methylsulfanylbutane;2-methylpropylbenzene
CID 159689951
2-benzyl-4-methyl-N-(2-methylpropyl)heptan-1-amine
CID 63496731
2-methylpropylbenzene;1-[4-(2-methylpropyl)phenyl]ethanone
CID 23168110
benzyl(trimethyl)phosphanium;hydrobromide
CID 154945301

Frequently Asked Questions

What is the IUPAC name of 1-deuterio-2-(2-methylpropyl)benzene?
The IUPAC name of 1-deuterio-2-(2-methylpropyl)benzene (CID 18666415) is 1-deuterio-2-(2-methylpropyl)benzene.
What is the SMILES notation for 1-deuterio-2-(2-methylpropyl)benzene?
The canonical SMILES for 1-deuterio-2-(2-methylpropyl)benzene is [2H]c1ccccc1CC(C)C.
What is the InChIKey of 1-deuterio-2-(2-methylpropyl)benzene?
The InChIKey is KXUHSQYYJYAXGZ-RAMDWTOOSA-N. The full InChI is InChI=1S/C10H14/c1-9(2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3/i6D.
What are the key properties of 1-deuterio-2-(2-methylpropyl)benzene?
1-deuterio-2-(2-methylpropyl)benzene has a molecular weight of 135.23 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-deuterio-2-(2-methylpropyl)benzene is sourced from PubChem (CID 18666415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).