(114C)methanol;hydrate

CH6O2 — CID 162324446

IUPAC(114C)methanol;hydrate
SMILESO.[14CH3]O
InChIInChI=1S/CH4O.H2O/c1-2;/h2H,1H3;1H2/i1+2;
InChIKeyGBMDVOWEEQVZKZ-DEQYMQKBSA-N
MW52.05 g/mol
LogP-1.22
Rot. Bonds

About (114C)methanol;hydrate

(114C)methanol;hydrate (PubChem CID 162324446) has the molecular formula CH6O2 and a molecular weight of 52.05 g/mol. Its IUPAC name is (114C)methanol;hydrate.

Molecular Properties

Compound Name(114C)methanol;hydrate
PubChem CID162324446
Molecular FormulaCH6O2
Molecular Weight52.05 g/mol
Exact Mass52.04
IUPAC Name(114C)methanol;hydrate
SMILESO.[14CH3]O
InChIInChI=1S/CH4O.H2O/c1-2;/h2H,1H3;1H2/i1+2;
InChIKeyGBMDVOWEEQVZKZ-DEQYMQKBSA-N
XLogP-1.22
TPSA51.73 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50052.05
LogP ≤ 5-1.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (114C)methanol;hydrate?
The IUPAC name of (114C)methanol;hydrate (CID 162324446) is (114C)methanol;hydrate.
What is the SMILES notation for (114C)methanol;hydrate?
The canonical SMILES for (114C)methanol;hydrate is O.[14CH3]O.
What is the InChIKey of (114C)methanol;hydrate?
The InChIKey is GBMDVOWEEQVZKZ-DEQYMQKBSA-N. The full InChI is InChI=1S/CH4O.H2O/c1-2;/h2H,1H3;1H2/i1+2;.
What are the key properties of (114C)methanol;hydrate?
(114C)methanol;hydrate has a molecular weight of 52.05 g/mol, XLogP of -1.22, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (114C)methanol;hydrate is sourced from PubChem (CID 162324446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).