(113C)methanol

CH4O — CID 11205710

IUPAC(113C)methanol
SMILES[13CH3]O
InChIInChI=1S/CH4O/c1-2/h2H,1H3/i1+1
InChIKeyOKKJLVBELUTLKV-OUBTZVSYSA-N
MW33.03 g/mol
LogP-0.39
Rot. Bonds

About (113C)methanol

(113C)methanol (PubChem CID 11205710) has the molecular formula CH4O and a molecular weight of 33.03 g/mol. Its IUPAC name is (113C)methanol.

Molecular Properties

Compound Name(113C)methanol
PubChem CID11205710
Molecular FormulaCH4O
Molecular Weight33.03 g/mol
Exact Mass33.03
IUPAC Name(113C)methanol
SMILES[13CH3]O
InChIInChI=1S/CH4O/c1-2/h2H,1H3/i1+1
InChIKeyOKKJLVBELUTLKV-OUBTZVSYSA-N
XLogP-0.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms2
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50033.03
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (113C)methanol?
The IUPAC name of (113C)methanol (CID 11205710) is (113C)methanol.
What is the SMILES notation for (113C)methanol?
The canonical SMILES for (113C)methanol is [13CH3]O.
What is the InChIKey of (113C)methanol?
The InChIKey is OKKJLVBELUTLKV-OUBTZVSYSA-N. The full InChI is InChI=1S/CH4O/c1-2/h2H,1H3/i1+1.
What are the key properties of (113C)methanol?
(113C)methanol has a molecular weight of 33.03 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 (113C)methanol is sourced from PubChem (CID 11205710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).