2-deuteriooxy-2-methylpropane

C4H10O — CID 517695

IUPAC2-deuteriooxy-2-methylpropane
SMILES[2H]OC(C)(C)C
InChIInChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3/i5D
InChIKeyDKGAVHZHDRPRBM-UICOGKGYSA-N
MW75.13 g/mol
LogP0.78
Rot. Bonds

About 2-deuteriooxy-2-methylpropane

2-deuteriooxy-2-methylpropane (PubChem CID 517695) has the molecular formula C4H10O and a molecular weight of 75.13 g/mol. Its IUPAC name is 2-deuteriooxy-2-methylpropane.

Molecular Properties

Compound Name2-deuteriooxy-2-methylpropane
PubChem CID517695
Molecular FormulaC4H10O
Molecular Weight75.13 g/mol
Exact Mass75.08
IUPAC Name2-deuteriooxy-2-methylpropane
SMILES[2H]OC(C)(C)C
InChIInChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3/i5D
InChIKeyDKGAVHZHDRPRBM-UICOGKGYSA-N
XLogP0.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50075.13
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-deuteriooxy-2-methylpropane?
The IUPAC name of 2-deuteriooxy-2-methylpropane (CID 517695) is 2-deuteriooxy-2-methylpropane.
What is the SMILES notation for 2-deuteriooxy-2-methylpropane?
The canonical SMILES for 2-deuteriooxy-2-methylpropane is [2H]OC(C)(C)C.
What is the InChIKey of 2-deuteriooxy-2-methylpropane?
The InChIKey is DKGAVHZHDRPRBM-UICOGKGYSA-N. The full InChI is InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3/i5D.
What are the key properties of 2-deuteriooxy-2-methylpropane?
2-deuteriooxy-2-methylpropane has a molecular weight of 75.13 g/mol, XLogP of 0.78, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuteriooxy-2-methylpropane is sourced from PubChem (CID 517695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).