3-deuterio-2,2-dimethylbutane

C6H14 — CID 164727472

IUPAC3-deuterio-2,2-dimethylbutane
SMILES[2H]C(C)C(C)(C)C
InChIInChI=1S/C6H14/c1-5-6(2,3)4/h5H2,1-4H3/i5D
InChIKeyHNRMPXKDFBEGFZ-UICOGKGYSA-N
MW87.18 g/mol
LogP2.44
Rot. Bonds

About 3-deuterio-2,2-dimethylbutane

3-deuterio-2,2-dimethylbutane (PubChem CID 164727472) has the molecular formula C6H14 and a molecular weight of 87.18 g/mol. Its IUPAC name is 3-deuterio-2,2-dimethylbutane.

Molecular Properties

Compound Name3-deuterio-2,2-dimethylbutane
PubChem CID164727472
Molecular FormulaC6H14
Molecular Weight87.18 g/mol
Exact Mass87.12
IUPAC Name3-deuterio-2,2-dimethylbutane
SMILES[2H]C(C)C(C)(C)C
InChIInChI=1S/C6H14/c1-5-6(2,3)4/h5H2,1-4H3/i5D
InChIKeyHNRMPXKDFBEGFZ-UICOGKGYSA-N
XLogP2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.18
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

pentakis(2,2-dimethylbutane);methane
CID 161368616
tetrakis(2,2-dimethylbutane);methane
CID 158609630
bis(2,2-dimethylbutane);tungsten
CID 157126936
1,1,1,3,3,4,4,6,6,6-decadeuterio-2,5-dimethyl-2,5-bis(trideuteriomethyl)hexane
CID 176822398
lithium;2,2-dimethylbutane;hydride
CID 174323452
2,2-dimethylbutane;3,3-dimethylpentane
CID 160500141
2-deuterio-3,3-dimethylbutanal
CID 175833370
bis(2,2-dimethylpentane);methane
CID 159859974
1,1-dideuterio-N,2,2-trimethyl-N-(trideuteriomethyl)propan-1-amine
CID 171606573
CID 160613534
CID 160613534
1,1,1,3,3-pentadeuterio-2,4,4-trimethylpentan-2-ol
CID 162034514
bis(2-methylpropan-2-amine);propane
CID 160822364

Frequently Asked Questions

What is the IUPAC name of 3-deuterio-2,2-dimethylbutane?
The IUPAC name of 3-deuterio-2,2-dimethylbutane (CID 164727472) is 3-deuterio-2,2-dimethylbutane.
What is the SMILES notation for 3-deuterio-2,2-dimethylbutane?
The canonical SMILES for 3-deuterio-2,2-dimethylbutane is [2H]C(C)C(C)(C)C.
What is the InChIKey of 3-deuterio-2,2-dimethylbutane?
The InChIKey is HNRMPXKDFBEGFZ-UICOGKGYSA-N. The full InChI is InChI=1S/C6H14/c1-5-6(2,3)4/h5H2,1-4H3/i5D.
What are the key properties of 3-deuterio-2,2-dimethylbutane?
3-deuterio-2,2-dimethylbutane has a molecular weight of 87.18 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-deuterio-2,2-dimethylbutane is sourced from PubChem (CID 164727472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).