(1,1-dideuterio-2-methylpropyl)benzene

C10H14 — CID 169068031

IUPAC(1,1-dideuterio-2-methylpropyl)benzene
SMILES[2H]C([2H])(c1ccccc1)C(C)C
InChIInChI=1S/C10H14/c1-9(2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3/i8D2
InChIKeyKXUHSQYYJYAXGZ-MGVXTIMCSA-N
MW136.23 g/mol
LogP2.89
Rot. Bonds2

About (1,1-dideuterio-2-methylpropyl)benzene

(1,1-dideuterio-2-methylpropyl)benzene (PubChem CID 169068031) has the molecular formula C10H14 and a molecular weight of 136.23 g/mol. Its IUPAC name is (1,1-dideuterio-2-methylpropyl)benzene.

Molecular Properties

Compound Name(1,1-dideuterio-2-methylpropyl)benzene
PubChem CID169068031
Molecular FormulaC10H14
Molecular Weight136.23 g/mol
Exact Mass136.12
IUPAC Name(1,1-dideuterio-2-methylpropyl)benzene
SMILES[2H]C([2H])(c1ccccc1)C(C)C
InChIInChI=1S/C10H14/c1-9(2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3/i8D2
InChIKeyKXUHSQYYJYAXGZ-MGVXTIMCSA-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 ≤ 500136.23
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;2-methylpropylbenzene
CID 162200929
1-deuterio-2-(2-methylpropyl)benzene
CID 18666415
4-[4-(1,1-dideuterio-2-methylpropyl)phenyl]-2-phenylpyridine
CID 166564030
1-(1,1-dideuterio-2-methylpropyl)-2-propan-2-ylbenzene
CID 167379247
ethene;3-methylbutylbenzene
CID 145421013
1-(2-methylpropyl)-4-(2-phenylethyl)benzene
CID 56625667
ethane;methane;2-methylbutane;tris(2-phenylethylbenzene)
CID 159124725
N-benzyl-1,1,1,2,3,3-hexadeuterio-3-phenylpropan-2-amine
CID 71751168
benzyl(trimethyl)phosphanium;hydrochloride
CID 154945285
benzyl(trimethyl)phosphanium;hydrobromide
CID 154945301
1,2-dideuterio-1-phenyl-N-(trideuteriomethyl)propan-2-amine
CID 71308404
2-benzyl-N-(2-methylpropyl)-3-phenylpropan-1-amine
CID 63496022

Frequently Asked Questions

What is the IUPAC name of (1,1-dideuterio-2-methylpropyl)benzene?
The IUPAC name of (1,1-dideuterio-2-methylpropyl)benzene (CID 169068031) is (1,1-dideuterio-2-methylpropyl)benzene.
What is the SMILES notation for (1,1-dideuterio-2-methylpropyl)benzene?
The canonical SMILES for (1,1-dideuterio-2-methylpropyl)benzene is [2H]C([2H])(c1ccccc1)C(C)C.
What is the InChIKey of (1,1-dideuterio-2-methylpropyl)benzene?
The InChIKey is KXUHSQYYJYAXGZ-MGVXTIMCSA-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/i8D2.
What are the key properties of (1,1-dideuterio-2-methylpropyl)benzene?
(1,1-dideuterio-2-methylpropyl)benzene has a molecular weight of 136.23 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 (1,1-dideuterio-2-methylpropyl)benzene is sourced from PubChem (CID 169068031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).