bismuthane;methyl acetate

C3H9BiO2 — CID 174537209

IUPACbismuthane;methyl acetate
SMILESCOC(C)=O.[BiH3]
InChIInChI=1S/C3H6O2.Bi.3H/c1-3(4)5-2;;;;/h1-2H3;;;;
InChIKeyHHEICEKDHKDQGI-UHFFFAOYSA-N
MW286.08 g/mol
LogP-1.00
Rot. Bonds

About bismuthane;methyl acetate

bismuthane;methyl acetate (PubChem CID 174537209) has the molecular formula C3H9BiO2 and a molecular weight of 286.08 g/mol. Its IUPAC name is bismuthane;methyl acetate.

Molecular Properties

Compound Namebismuthane;methyl acetate
PubChem CID174537209
Molecular FormulaC3H9BiO2
Molecular Weight286.08 g/mol
Exact Mass286.04
IUPAC Namebismuthane;methyl acetate
SMILESCOC(C)=O.[BiH3]
InChIInChI=1S/C3H6O2.Bi.3H/c1-3(4)5-2;;;;/h1-2H3;;;;
InChIKeyHHEICEKDHKDQGI-UHFFFAOYSA-N
XLogP-1.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.08
LogP ≤ 5-1.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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copper;methyl acetate
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methane;methyl acetate
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CID 159985177
CID 159985177
deuteride;methyl acetate;hydrate
CID 160772266
tetrakis(cyclohexane);methyl acetate
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methyl acetate;nitrous acid
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2-chloropropane;methyl acetate
CID 157293612

Frequently Asked Questions

What is the IUPAC name of bismuthane;methyl acetate?
The IUPAC name of bismuthane;methyl acetate (CID 174537209) is bismuthane;methyl acetate.
What is the SMILES notation for bismuthane;methyl acetate?
The canonical SMILES for bismuthane;methyl acetate is COC(C)=O.[BiH3].
What is the InChIKey of bismuthane;methyl acetate?
The InChIKey is HHEICEKDHKDQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2.Bi.3H/c1-3(4)5-2;;;;/h1-2H3;;;;.
What are the key properties of bismuthane;methyl acetate?
bismuthane;methyl acetate has a molecular weight of 286.08 g/mol, XLogP of -1.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bismuthane;methyl acetate is sourced from PubChem (CID 174537209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).