1,1,1,3,3,4,4,6,6,6-decadeuterio-2,5-dimethyl-2,5-bis(trideuteriomethyl)hexane

C10H22 — CID 176822398

IUPAC1,1,1,3,3,4,4,6,6,6-decadeuterio-2,5-dimethyl-2,5-bis(trideuteriomethyl)hexane
SMILES[2H]C([2H])([2H])C(C)(C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])C(C)(C([2H])([2H])[2H])C([2H])([2H])[2H]
InChIInChI=1S/C10H22/c1-9(2,3)7-8-10(4,5)6/h7-8H2,1-6H3/i1D3,2D3,4D3,5D3,7D2,8D2
InChIKeyHXQDUXXBVMMIKL-WNCFLOHJSA-N
MW158.38 g/mol
LogP3.86
Rot. Bonds1

About 1,1,1,3,3,4,4,6,6,6-decadeuterio-2,5-dimethyl-2,5-bis(trideuteriomethyl)hexane

1,1,1,3,3,4,4,6,6,6-decadeuterio-2,5-dimethyl-2,5-bis(trideuteriomethyl)hexane (PubChem CID 176822398) has the molecular formula C10H22 and a molecular weight of 158.38 g/mol. Its IUPAC name is 1,1,1,3,3,4,4,6,6,6-decadeuterio-2,5-dimethyl-2,5-bis(trideuteriomethyl)hexane.

Molecular Properties

Compound Name1,1,1,3,3,4,4,6,6,6-decadeuterio-2,5-dimethyl-2,5-bis(trideuteriomethyl)hexane
PubChem CID176822398
Molecular FormulaC10H22
Molecular Weight158.38 g/mol
Exact Mass158.27
IUPAC Name1,1,1,3,3,4,4,6,6,6-decadeuterio-2,5-dimethyl-2,5-bis(trideuteriomethyl)hexane
SMILES[2H]C([2H])([2H])C(C)(C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])C(C)(C([2H])([2H])[2H])C([2H])([2H])[2H]
InChIInChI=1S/C10H22/c1-9(2,3)7-8-10(4,5)6/h7-8H2,1-6H3/i1D3,2D3,4D3,5D3,7D2,8D2
InChIKeyHXQDUXXBVMMIKL-WNCFLOHJSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.38
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1,1-trideuterio-4,4-difluoro-2,2-bis(trideuteriomethyl)pentane
CID 122425054
3-deuterio-2,2-dimethylbutane
CID 164727472
1,1,1,3,3-pentadeuterio-2,4,4-trimethylpentan-2-ol
CID 162034514
2,2-dimethylpropyl(trimethyl)stannane
CID 12697499
1,1-dideuterio-N,2,2-trimethyl-N-(trideuteriomethyl)propan-1-amine
CID 171606573
(2S)-2-amino-5,5,5-trideuterio-4,4-dimethylpentanoic acid
CID 162641870
1,1,1,3,3-pentadeuterio-2-methyl-2-(trifluoromethyl)butane
CID 130352609
4,4,4-trideuterio-3,3-bis(trideuteriomethyl)butanoyl chloride
CID 169438694
1,1,1,3,3-pentadeuterio-3-deuteriooxy-2-methylpropan-2-amine
CID 131698431
tert-butyl-chloro-bis(sulfanyl)silane
CID 150298252
2-deuterio-3,3-dimethylbutanal
CID 175833370
2,4,4-trimethyl-2-(trideuteriomethyl)pentanoic acid
CID 118042012

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,4,4,6,6,6-decadeuterio-2,5-dimethyl-2,5-bis(trideuteriomethyl)hexane?
The IUPAC name of 1,1,1,3,3,4,4,6,6,6-decadeuterio-2,5-dimethyl-2,5-bis(trideuteriomethyl)hexane (CID 176822398) is 1,1,1,3,3,4,4,6,6,6-decadeuterio-2,5-dimethyl-2,5-bis(trideuteriomethyl)hexane.
What is the SMILES notation for 1,1,1,3,3,4,4,6,6,6-decadeuterio-2,5-dimethyl-2,5-bis(trideuteriomethyl)hexane?
The canonical SMILES for 1,1,1,3,3,4,4,6,6,6-decadeuterio-2,5-dimethyl-2,5-bis(trideuteriomethyl)hexane is [2H]C([2H])([2H])C(C)(C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])C(C)(C([2H])([2H])[2H])C([2H])([2H])[2H].
What is the InChIKey of 1,1,1,3,3,4,4,6,6,6-decadeuterio-2,5-dimethyl-2,5-bis(trideuteriomethyl)hexane?
The InChIKey is HXQDUXXBVMMIKL-WNCFLOHJSA-N. The full InChI is InChI=1S/C10H22/c1-9(2,3)7-8-10(4,5)6/h7-8H2,1-6H3/i1D3,2D3,4D3,5D3,7D2,8D2.
What are the key properties of 1,1,1,3,3,4,4,6,6,6-decadeuterio-2,5-dimethyl-2,5-bis(trideuteriomethyl)hexane?
1,1,1,3,3,4,4,6,6,6-decadeuterio-2,5-dimethyl-2,5-bis(trideuteriomethyl)hexane has a molecular weight of 158.38 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,4,4,6,6,6-decadeuterio-2,5-dimethyl-2,5-bis(trideuteriomethyl)hexane is sourced from PubChem (CID 176822398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).