2-deuterio-2,3-dimethylbutane

C6H14 — CID 154589489

IUPAC2-deuterio-2,3-dimethylbutane
SMILES[2H]C(C)(C)C(C)C
InChIInChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3/i5D
InChIKeyZFFMLCVRJBZUDZ-UICOGKGYSA-N
MW87.18 g/mol
LogP2.30
Rot. Bonds1

About 2-deuterio-2,3-dimethylbutane

2-deuterio-2,3-dimethylbutane (PubChem CID 154589489) has the molecular formula C6H14 and a molecular weight of 87.18 g/mol. Its IUPAC name is 2-deuterio-2,3-dimethylbutane.

Molecular Properties

Compound Name2-deuterio-2,3-dimethylbutane
PubChem CID154589489
Molecular FormulaC6H14
Molecular Weight87.18 g/mol
Exact Mass87.12
IUPAC Name2-deuterio-2,3-dimethylbutane
SMILES[2H]C(C)(C)C(C)C
InChIInChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3/i5D
InChIKeyZFFMLCVRJBZUDZ-UICOGKGYSA-N
XLogP2.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.18
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2R)-2-deuterio-3-methylbutan-2-amine
CID 122205559
1,1,1,2-tetradeuterio-2-methylpropane
CID 148660145
2-deuterio-1-fluoro-2,3-dimethylbutane
CID 164822449
2,3-dimethylbutane;ethane
CID 143330980
2-deuterio-N-methylpropan-2-amine
CID 59872547
2,3-dimethylbutane;methanol
CID 142260145
3,5-difluoro-2,4,6-trimethylheptane
CID 170657718
3-fluoro-2,4,5-trimethylhexane
CID 145154755
2-deuterio-N-propan-2-ylpropan-2-amine
CID 11423564
2-methyl(213C)propane
CID 11240418
(3S)-2,2,3-trideuterio-4-methyl-3-(trideuteriomethyl)pentane
CID 159519461
2-amino-3-deuterio-3-methylbutanoic acid
CID 59859246

Frequently Asked Questions

What is the IUPAC name of 2-deuterio-2,3-dimethylbutane?
The IUPAC name of 2-deuterio-2,3-dimethylbutane (CID 154589489) is 2-deuterio-2,3-dimethylbutane.
What is the SMILES notation for 2-deuterio-2,3-dimethylbutane?
The canonical SMILES for 2-deuterio-2,3-dimethylbutane is [2H]C(C)(C)C(C)C.
What is the InChIKey of 2-deuterio-2,3-dimethylbutane?
The InChIKey is ZFFMLCVRJBZUDZ-UICOGKGYSA-N. The full InChI is InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3/i5D.
What are the key properties of 2-deuterio-2,3-dimethylbutane?
2-deuterio-2,3-dimethylbutane has a molecular weight of 87.18 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterio-2,3-dimethylbutane is sourced from PubChem (CID 154589489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).