2-[dideuterio(deuteriooxy)methyl]-1,3,5-trimethylbenzene

C10H14O — CID 45048806

IUPAC2-[dideuterio(deuteriooxy)methyl]-1,3,5-trimethylbenzene
SMILES[2H]OC([2H])([2H])c1c(C)cc(C)cc1C
InChIInChI=1S/C10H14O/c1-7-4-8(2)10(6-11)9(3)5-7/h4-5,11H,6H2,1-3H3/i6D2,11D
InChIKeyLODDFDHPSIYCTK-WDHUKZDXSA-N
MW153.24 g/mol
LogP2.10
Rot. Bonds2

About 2-[dideuterio(deuteriooxy)methyl]-1,3,5-trimethylbenzene

2-[dideuterio(deuteriooxy)methyl]-1,3,5-trimethylbenzene (PubChem CID 45048806) has the molecular formula C10H14O and a molecular weight of 153.24 g/mol. Its IUPAC name is 2-[dideuterio(deuteriooxy)methyl]-1,3,5-trimethylbenzene.

Molecular Properties

Compound Name2-[dideuterio(deuteriooxy)methyl]-1,3,5-trimethylbenzene
PubChem CID45048806
Molecular FormulaC10H14O
Molecular Weight153.24 g/mol
Exact Mass153.12
IUPAC Name2-[dideuterio(deuteriooxy)methyl]-1,3,5-trimethylbenzene
SMILES[2H]OC([2H])([2H])c1c(C)cc(C)cc1C
InChIInChI=1S/C10H14O/c1-7-4-8(2)10(6-11)9(3)5-7/h4-5,11H,6H2,1-3H3/i6D2,11D
InChIKeyLODDFDHPSIYCTK-WDHUKZDXSA-N
XLogP2.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.24
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(chloromethyl)-1,3,5-trimethylbenzene;methane
CID 158287443
ethane;(2,4,6-trimethylphenyl)methanol
CID 143599991
(2-fluoro-4,6-dimethylphenyl)methylhydrazine
CID 106884295
2-amino-3-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride
CID 170891844
hydroxy-oxo-[(2,4,6-trimethylphenyl)methyl]phosphanium
CID 175828845
3-methyl-4-(2,4,6-trimethylphenyl)butan-2-ol
CID 11229524
2-butyl-1,3,5-trimethylbenzene
CID 527298
4-(2,4,6-trimethylphenyl)butan-2-amine
CID 62550210
(2,4,6-trimethylphenyl)methylcarbamic acid
CID 67124074
[dimethyl-[(2,4,6-trimethylphenyl)methyl]-λ4-sulfanyl] perchlorate
CID 134894574
trifluoro-[(2,4,6-trimethylphenyl)methyl]boranuide
CID 63701991
2-(2,4,6-trimethylphenyl)acetonitrile
CID 520698

Frequently Asked Questions

What is the IUPAC name of 2-[dideuterio(deuteriooxy)methyl]-1,3,5-trimethylbenzene?
The IUPAC name of 2-[dideuterio(deuteriooxy)methyl]-1,3,5-trimethylbenzene (CID 45048806) is 2-[dideuterio(deuteriooxy)methyl]-1,3,5-trimethylbenzene.
What is the SMILES notation for 2-[dideuterio(deuteriooxy)methyl]-1,3,5-trimethylbenzene?
The canonical SMILES for 2-[dideuterio(deuteriooxy)methyl]-1,3,5-trimethylbenzene is [2H]OC([2H])([2H])c1c(C)cc(C)cc1C.
What is the InChIKey of 2-[dideuterio(deuteriooxy)methyl]-1,3,5-trimethylbenzene?
The InChIKey is LODDFDHPSIYCTK-WDHUKZDXSA-N. The full InChI is InChI=1S/C10H14O/c1-7-4-8(2)10(6-11)9(3)5-7/h4-5,11H,6H2,1-3H3/i6D2,11D.
What are the key properties of 2-[dideuterio(deuteriooxy)methyl]-1,3,5-trimethylbenzene?
2-[dideuterio(deuteriooxy)methyl]-1,3,5-trimethylbenzene has a molecular weight of 153.24 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dideuterio(deuteriooxy)methyl]-1,3,5-trimethylbenzene is sourced from PubChem (CID 45048806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).