2-(113C)methoxy-2-methylpropane

C5H12O — CID 71309295

IUPAC2-(113C)methoxy-2-methylpropane
SMILESCC(C)(C)O[13CH3]
InChIInChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3/i4+1
InChIKeyBZLVMXJERCGZMT-AZXPZELESA-N
MW89.14 g/mol
LogP1.43
Rot. Bonds

About 2-(113C)methoxy-2-methylpropane

2-(113C)methoxy-2-methylpropane (PubChem CID 71309295) has the molecular formula C5H12O and a molecular weight of 89.14 g/mol. Its IUPAC name is 2-(113C)methoxy-2-methylpropane.

Molecular Properties

Compound Name2-(113C)methoxy-2-methylpropane
PubChem CID71309295
Molecular FormulaC5H12O
Molecular Weight89.14 g/mol
Exact Mass89.09
IUPAC Name2-(113C)methoxy-2-methylpropane
SMILESCC(C)(C)O[13CH3]
InChIInChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3/i4+1
InChIKeyBZLVMXJERCGZMT-AZXPZELESA-N
XLogP1.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.14
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(113C)methoxy-2-methylpropane?
The IUPAC name of 2-(113C)methoxy-2-methylpropane (CID 71309295) is 2-(113C)methoxy-2-methylpropane.
What is the SMILES notation for 2-(113C)methoxy-2-methylpropane?
The canonical SMILES for 2-(113C)methoxy-2-methylpropane is CC(C)(C)O[13CH3].
What is the InChIKey of 2-(113C)methoxy-2-methylpropane?
The InChIKey is BZLVMXJERCGZMT-AZXPZELESA-N. The full InChI is InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3/i4+1.
What are the key properties of 2-(113C)methoxy-2-methylpropane?
2-(113C)methoxy-2-methylpropane has a molecular weight of 89.14 g/mol, XLogP of 1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(113C)methoxy-2-methylpropane is sourced from PubChem (CID 71309295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).