methyl boranylformate

C2H5BO2 — CID 4077688

IUPACmethyl boranylformate
SMILESBC(=O)OC
InChIInChI=1S/C2H5BO2/c1-5-2(3)4/h3H2,1H3
InChIKeyOTDVRMNOBRGCJD-UHFFFAOYSA-N
MW71.87 g/mol
LogP-0.61
Rot. Bonds

About methyl boranylformate

methyl boranylformate (PubChem CID 4077688) has the molecular formula C2H5BO2 and a molecular weight of 71.87 g/mol. Its IUPAC name is methyl boranylformate.

Molecular Properties

Compound Namemethyl boranylformate
PubChem CID4077688
Molecular FormulaC2H5BO2
Molecular Weight71.87 g/mol
Exact Mass72.04
IUPAC Namemethyl boranylformate
SMILESBC(=O)OC
InChIInChI=1S/C2H5BO2/c1-5-2(3)4/h3H2,1H3
InChIKeyOTDVRMNOBRGCJD-UHFFFAOYSA-N
XLogP-0.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50071.87
LogP ≤ 5-0.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

methyl acetate;ruthenium
CID 160799101
dimethyl oxalate
CID 11120
methane;methyl acetate
CID 162094565
argon;methyl acetate
CID 169424774
dimethyl carbonate;ethane
CID 160632176
bismuthane;methyl acetate
CID 174537209
copper;methyl acetate
CID 174340034
methane;methyl acetate
CID 158871569
methyl acetate;titanium
CID 87665287
methyl carboniodidate
CID 87920262
CID 159985177
CID 159985177
dimethyl oxalate;hydrochloride
CID 172754902

Frequently Asked Questions

What is the IUPAC name of methyl boranylformate?
The IUPAC name of methyl boranylformate (CID 4077688) is methyl boranylformate.
What is the SMILES notation for methyl boranylformate?
The canonical SMILES for methyl boranylformate is BC(=O)OC.
What is the InChIKey of methyl boranylformate?
The InChIKey is OTDVRMNOBRGCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5BO2/c1-5-2(3)4/h3H2,1H3.
What are the key properties of methyl boranylformate?
methyl boranylformate has a molecular weight of 71.87 g/mol, XLogP of -0.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl boranylformate is sourced from PubChem (CID 4077688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).