phosphanylmethyl formate

C2H5O2P — CID 59121577

IUPACphosphanylmethyl formate
SMILESO=COCP
InChIInChI=1S/C2H5O2P/c3-1-4-2-5/h1H,2,5H2
InChIKeyIBCWBCLUWCNKRI-UHFFFAOYSA-N
MW92.03 g/mol
LogP-0.01
Rot. Bonds2

About phosphanylmethyl formate

phosphanylmethyl formate (PubChem CID 59121577) has the molecular formula C2H5O2P and a molecular weight of 92.03 g/mol. Its IUPAC name is phosphanylmethyl formate.

Molecular Properties

Compound Namephosphanylmethyl formate
PubChem CID59121577
Molecular FormulaC2H5O2P
Molecular Weight92.03 g/mol
Exact Mass92.00
IUPAC Namephosphanylmethyl formate
SMILESO=COCP
InChIInChI=1S/C2H5O2P/c3-1-4-2-5/h1H,2,5H2
InChIKeyIBCWBCLUWCNKRI-UHFFFAOYSA-N
XLogP-0.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.03
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

lithium;ethyl formate;hydroxide
CID 174914217
copper;prop-2-enyl formate
CID 88526438
ethyl formate;methanol
CID 87496134
calcium;ethyl formate;dichloride
CID 174827324
2-iodoethyl formate
CID 18329598
acetaldehyde;chloro(iodo)methane;chloromethyl formate
CID 157267639
(3-bromo-2,3-diiodoprop-2-enyl) formate
CID 54454729
2-bromoethyl formate;ethane
CID 143917074
ethyl formate;trifluoroborane
CID 88614500
2-(formyloxymethoxy)ethyl formate
CID 57242622
ethyl formate;propa-1,2-diene
CID 174771655
2-oxopropyl formate
CID 10920454

Frequently Asked Questions

What is the IUPAC name of phosphanylmethyl formate?
The IUPAC name of phosphanylmethyl formate (CID 59121577) is phosphanylmethyl formate.
What is the SMILES notation for phosphanylmethyl formate?
The canonical SMILES for phosphanylmethyl formate is O=COCP.
What is the InChIKey of phosphanylmethyl formate?
The InChIKey is IBCWBCLUWCNKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5O2P/c3-1-4-2-5/h1H,2,5H2.
What are the key properties of phosphanylmethyl formate?
phosphanylmethyl formate has a molecular weight of 92.03 g/mol, XLogP of -0.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phosphanylmethyl formate is sourced from PubChem (CID 59121577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).