(1,3-13C2)propan-2-ol

C3H8O — CID 71309419

IUPAC(1,3-13C2)propan-2-ol
SMILES[13CH3]C([13CH3])O
InChIInChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3/i1+1,2+1
InChIKeyKFZMGEQAYNKOFK-ZDOIIHCHSA-N
MW62.08 g/mol
LogP0.39
Rot. Bonds

About (1,3-13C2)propan-2-ol

(1,3-13C2)propan-2-ol (PubChem CID 71309419) has the molecular formula C3H8O and a molecular weight of 62.08 g/mol. Its IUPAC name is (1,3-13C2)propan-2-ol.

Molecular Properties

Compound Name(1,3-13C2)propan-2-ol
PubChem CID71309419
Molecular FormulaC3H8O
Molecular Weight62.08 g/mol
Exact Mass62.06
IUPAC Name(1,3-13C2)propan-2-ol
SMILES[13CH3]C([13CH3])O
InChIInChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3/i1+1,2+1
InChIKeyKFZMGEQAYNKOFK-ZDOIIHCHSA-N
XLogP0.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50062.08
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1,3-13C2)propan-2-ol?
The IUPAC name of (1,3-13C2)propan-2-ol (CID 71309419) is (1,3-13C2)propan-2-ol.
What is the SMILES notation for (1,3-13C2)propan-2-ol?
The canonical SMILES for (1,3-13C2)propan-2-ol is [13CH3]C([13CH3])O.
What is the InChIKey of (1,3-13C2)propan-2-ol?
The InChIKey is KFZMGEQAYNKOFK-ZDOIIHCHSA-N. The full InChI is InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3/i1+1,2+1.
What are the key properties of (1,3-13C2)propan-2-ol?
(1,3-13C2)propan-2-ol has a molecular weight of 62.08 g/mol, XLogP of 0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-13C2)propan-2-ol is sourced from PubChem (CID 71309419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).