2-(113C)methyl(1,2,3-13C3)propan-2-ol

C4H10O — CID 24872149

IUPAC2-(113C)methyl(1,2,3-13C3)propan-2-ol
SMILES[13CH3][13C]([13CH3])([13CH3])O
InChIInChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3/i1+1,2+1,3+1,4+1
InChIKeyDKGAVHZHDRPRBM-JCDJMFQYSA-N
MW78.09 g/mol
LogP0.78
Rot. Bonds

About 2-(113C)methyl(1,2,3-13C3)propan-2-ol

2-(113C)methyl(1,2,3-13C3)propan-2-ol (PubChem CID 24872149) has the molecular formula C4H10O and a molecular weight of 78.09 g/mol. Its IUPAC name is 2-(113C)methyl(1,2,3-13C3)propan-2-ol.

Molecular Properties

Compound Name2-(113C)methyl(1,2,3-13C3)propan-2-ol
PubChem CID24872149
Molecular FormulaC4H10O
Molecular Weight78.09 g/mol
Exact Mass78.09
IUPAC Name2-(113C)methyl(1,2,3-13C3)propan-2-ol
SMILES[13CH3][13C]([13CH3])([13CH3])O
InChIInChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3/i1+1,2+1,3+1,4+1
InChIKeyDKGAVHZHDRPRBM-JCDJMFQYSA-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 ≤ 50078.09
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-(113C)methyl(1,2,3-13C3)propan-2-ol?
The IUPAC name of 2-(113C)methyl(1,2,3-13C3)propan-2-ol (CID 24872149) is 2-(113C)methyl(1,2,3-13C3)propan-2-ol.
What is the SMILES notation for 2-(113C)methyl(1,2,3-13C3)propan-2-ol?
The canonical SMILES for 2-(113C)methyl(1,2,3-13C3)propan-2-ol is [13CH3][13C]([13CH3])([13CH3])O.
What is the InChIKey of 2-(113C)methyl(1,2,3-13C3)propan-2-ol?
The InChIKey is DKGAVHZHDRPRBM-JCDJMFQYSA-N. The full InChI is InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3/i1+1,2+1,3+1,4+1.
What are the key properties of 2-(113C)methyl(1,2,3-13C3)propan-2-ol?
2-(113C)methyl(1,2,3-13C3)propan-2-ol has a molecular weight of 78.09 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-(113C)methyl(1,2,3-13C3)propan-2-ol is sourced from PubChem (CID 24872149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).