dihydroxy-methyl-methylidene-λ5-phosphane

C2H7O2P — CID 18339287

IUPACdihydroxy-methyl-methylidene-λ5-phosphane
SMILESC=P(C)(O)O
InChIInChI=1S/C2H7O2P/c1-5(2,3)4/h3-4H,1H2,2H3
InChIKeyNQXMRKWPLLRRFB-UHFFFAOYSA-N
MW94.05 g/mol
LogP-0.12
Rot. Bonds

About dihydroxy-methyl-methylidene-λ5-phosphane

dihydroxy-methyl-methylidene-λ5-phosphane (PubChem CID 18339287) has the molecular formula C2H7O2P and a molecular weight of 94.05 g/mol. Its IUPAC name is dihydroxy-methyl-methylidene-λ5-phosphane.

Molecular Properties

Compound Namedihydroxy-methyl-methylidene-λ5-phosphane
PubChem CID18339287
Molecular FormulaC2H7O2P
Molecular Weight94.05 g/mol
Exact Mass94.02
IUPAC Namedihydroxy-methyl-methylidene-λ5-phosphane
SMILESC=P(C)(O)O
InChIInChI=1S/C2H7O2P/c1-5(2,3)4/h3-4H,1H2,2H3
InChIKeyNQXMRKWPLLRRFB-UHFFFAOYSA-N
XLogP-0.12
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.05
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dihydroxy-methyl-methylidene-λ5-phosphane?
The IUPAC name of dihydroxy-methyl-methylidene-λ5-phosphane (CID 18339287) is dihydroxy-methyl-methylidene-λ5-phosphane.
What is the SMILES notation for dihydroxy-methyl-methylidene-λ5-phosphane?
The canonical SMILES for dihydroxy-methyl-methylidene-λ5-phosphane is C=P(C)(O)O.
What is the InChIKey of dihydroxy-methyl-methylidene-λ5-phosphane?
The InChIKey is NQXMRKWPLLRRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7O2P/c1-5(2,3)4/h3-4H,1H2,2H3.
What are the key properties of dihydroxy-methyl-methylidene-λ5-phosphane?
dihydroxy-methyl-methylidene-λ5-phosphane has a molecular weight of 94.05 g/mol, XLogP of -0.12, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-methyl-methylidene-λ5-phosphane is sourced from PubChem (CID 18339287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).