deuteride;methyl acetate;hydrate

C3H9O3- — CID 160772266

IUPACdeuteride;methyl acetate;hydrate
SMILESCOC(C)=O.O.[2H-]
InChIInChI=1S/C3H6O2.H2O.H/c1-3(4)5-2;;/h1-2H3;1H2;/q;;-1/i;;1+1
InChIKeyUDOGASMGMHVCLN-FCHARDOESA-N
MW94.11 g/mol
LogP-0.53
Rot. Bonds

About deuteride;methyl acetate;hydrate

deuteride;methyl acetate;hydrate (PubChem CID 160772266) has the molecular formula C3H9O3- and a molecular weight of 94.11 g/mol. Its IUPAC name is deuteride;methyl acetate;hydrate.

Molecular Properties

Compound Namedeuteride;methyl acetate;hydrate
PubChem CID160772266
Molecular FormulaC3H9O3-
Molecular Weight94.11 g/mol
Exact Mass94.06
IUPAC Namedeuteride;methyl acetate;hydrate
SMILESCOC(C)=O.O.[2H-]
InChIInChI=1S/C3H6O2.H2O.H/c1-3(4)5-2;;/h1-2H3;1H2;/q;;-1/i;;1+1
InChIKeyUDOGASMGMHVCLN-FCHARDOESA-N
XLogP-0.53
TPSA57.80 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.11
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze deuteride;methyl acetate;hydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl acetate;ruthenium
CID 160799101
methyl acetate;titanium
CID 87665287
methane;methyl acetate
CID 162094565
argon;methyl acetate
CID 169424774
bismuthane;methyl acetate
CID 174537209
copper;methyl acetate
CID 174340034
methane;methyl acetate
CID 158871569
CID 159985177
CID 159985177
acetonitrile;methyl acetate
CID 18363384
tetrakis(cyclohexane);methyl acetate
CID 159246653
bis(N,N-dimethylacetamide);methyl acetate;propan-2-one
CID 161062659
methyl acetate;nitrous acid
CID 174825102

Frequently Asked Questions

What is the IUPAC name of deuteride;methyl acetate;hydrate?
The IUPAC name of deuteride;methyl acetate;hydrate (CID 160772266) is deuteride;methyl acetate;hydrate.
What is the SMILES notation for deuteride;methyl acetate;hydrate?
The canonical SMILES for deuteride;methyl acetate;hydrate is COC(C)=O.O.[2H-].
What is the InChIKey of deuteride;methyl acetate;hydrate?
The InChIKey is UDOGASMGMHVCLN-FCHARDOESA-N. The full InChI is InChI=1S/C3H6O2.H2O.H/c1-3(4)5-2;;/h1-2H3;1H2;/q;;-1/i;;1+1.
What are the key properties of deuteride;methyl acetate;hydrate?
deuteride;methyl acetate;hydrate has a molecular weight of 94.11 g/mol, XLogP of -0.53, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for deuteride;methyl acetate;hydrate is sourced from PubChem (CID 160772266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).