(hydroxy-methoxy-dimethyl-λ5-phosphanyl) dihydrogen phosphite

C3H12O5P2 — CID 174842127

IUPAC(hydroxy-methoxy-dimethyl-λ5-phosphanyl) dihydrogen phosphite
SMILESCOP(C)(C)(O)OP(O)O
InChIInChI=1S/C3H12O5P2/c1-7-10(2,3,6)8-9(4)5/h4-6H,1-3H3
InChIKeyFQRTUQUJQBASRO-UHFFFAOYSA-N
MW190.07 g/mol
LogP0.41
Rot. Bonds3

About (hydroxy-methoxy-dimethyl-λ5-phosphanyl) dihydrogen phosphite

(hydroxy-methoxy-dimethyl-λ5-phosphanyl) dihydrogen phosphite (PubChem CID 174842127) has the molecular formula C3H12O5P2 and a molecular weight of 190.07 g/mol. Its IUPAC name is (hydroxy-methoxy-dimethyl-λ5-phosphanyl) dihydrogen phosphite.

Molecular Properties

Compound Name(hydroxy-methoxy-dimethyl-λ5-phosphanyl) dihydrogen phosphite
PubChem CID174842127
Molecular FormulaC3H12O5P2
Molecular Weight190.07 g/mol
Exact Mass190.02
IUPAC Name(hydroxy-methoxy-dimethyl-λ5-phosphanyl) dihydrogen phosphite
SMILESCOP(C)(C)(O)OP(O)O
InChIInChI=1S/C3H12O5P2/c1-7-10(2,3,6)8-9(4)5/h4-6H,1-3H3
InChIKeyFQRTUQUJQBASRO-UHFFFAOYSA-N
XLogP0.41
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.07
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (hydroxy-methoxy-dimethyl-λ5-phosphanyl) dihydrogen phosphite?
The IUPAC name of (hydroxy-methoxy-dimethyl-λ5-phosphanyl) dihydrogen phosphite (CID 174842127) is (hydroxy-methoxy-dimethyl-λ5-phosphanyl) dihydrogen phosphite.
What is the SMILES notation for (hydroxy-methoxy-dimethyl-λ5-phosphanyl) dihydrogen phosphite?
The canonical SMILES for (hydroxy-methoxy-dimethyl-λ5-phosphanyl) dihydrogen phosphite is COP(C)(C)(O)OP(O)O.
What is the InChIKey of (hydroxy-methoxy-dimethyl-λ5-phosphanyl) dihydrogen phosphite?
The InChIKey is FQRTUQUJQBASRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H12O5P2/c1-7-10(2,3,6)8-9(4)5/h4-6H,1-3H3.
What are the key properties of (hydroxy-methoxy-dimethyl-λ5-phosphanyl) dihydrogen phosphite?
(hydroxy-methoxy-dimethyl-λ5-phosphanyl) dihydrogen phosphite has a molecular weight of 190.07 g/mol, XLogP of 0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (hydroxy-methoxy-dimethyl-λ5-phosphanyl) dihydrogen phosphite is sourced from PubChem (CID 174842127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).