2-deuterio-2-methylpropane

C4H10 — CID 518729

IUPAC2-deuterio-2-methylpropane
SMILES[2H]C(C)(C)C
InChIInChI=1S/C4H10/c1-4(2)3/h4H,1-3H3/i4D
InChIKeyNNPPMTNAJDCUHE-QYKNYGDISA-N
MW59.13 g/mol
LogP1.66
Rot. Bonds

About 2-deuterio-2-methylpropane

2-deuterio-2-methylpropane (PubChem CID 518729) has the molecular formula C4H10 and a molecular weight of 59.13 g/mol. Its IUPAC name is 2-deuterio-2-methylpropane.

Molecular Properties

Compound Name2-deuterio-2-methylpropane
PubChem CID518729
Molecular FormulaC4H10
Molecular Weight59.13 g/mol
Exact Mass59.08
IUPAC Name2-deuterio-2-methylpropane
SMILES[2H]C(C)(C)C
InChIInChI=1S/C4H10/c1-4(2)3/h4H,1-3H3/i4D
InChIKeyNNPPMTNAJDCUHE-QYKNYGDISA-N
XLogP1.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50059.13
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-deuterio-2-methylpropane?
The IUPAC name of 2-deuterio-2-methylpropane (CID 518729) is 2-deuterio-2-methylpropane.
What is the SMILES notation for 2-deuterio-2-methylpropane?
The canonical SMILES for 2-deuterio-2-methylpropane is [2H]C(C)(C)C.
What is the InChIKey of 2-deuterio-2-methylpropane?
The InChIKey is NNPPMTNAJDCUHE-QYKNYGDISA-N. The full InChI is InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3/i4D.
What are the key properties of 2-deuterio-2-methylpropane?
2-deuterio-2-methylpropane has a molecular weight of 59.13 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterio-2-methylpropane is sourced from PubChem (CID 518729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).