(1-methylidene-2,6,7-trioxa-1λ5-phosphabicyclo[2.2.2]octan-4-yl)methanol

C6H11O4P — CID 20727310

IUPAC(1-methylidene-2,6,7-trioxa-1λ5-phosphabicyclo[2.2.2]octan-4-yl)methanol
SMILESC=P12OCC(CO)(CO1)CO2
InChIInChI=1S/C6H11O4P/c1-11-8-3-6(2-7,4-9-11)5-10-11/h7H,1-5H2
InChIKeyQMUBLGSQHDODGA-UHFFFAOYSA-N
MW178.12 g/mol
LogP0.24
Rot. Bonds1

About (1-methylidene-2,6,7-trioxa-1λ5-phosphabicyclo[2.2.2]octan-4-yl)methanol

(1-methylidene-2,6,7-trioxa-1λ5-phosphabicyclo[2.2.2]octan-4-yl)methanol (PubChem CID 20727310) has the molecular formula C6H11O4P and a molecular weight of 178.12 g/mol. Its IUPAC name is (1-methylidene-2,6,7-trioxa-1λ5-phosphabicyclo[2.2.2]octan-4-yl)methanol.

Molecular Properties

Compound Name(1-methylidene-2,6,7-trioxa-1λ5-phosphabicyclo[2.2.2]octan-4-yl)methanol
PubChem CID20727310
Molecular FormulaC6H11O4P
Molecular Weight178.12 g/mol
Exact Mass178.04
IUPAC Name(1-methylidene-2,6,7-trioxa-1λ5-phosphabicyclo[2.2.2]octan-4-yl)methanol
SMILESC=P12OCC(CO)(CO1)CO2
InChIInChI=1S/C6H11O4P/c1-11-8-3-6(2-7,4-9-11)5-10-11/h7H,1-5H2
InChIKeyQMUBLGSQHDODGA-UHFFFAOYSA-N
XLogP0.24
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.12
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1-methylidene-2,6,7-trioxa-1λ5-phosphabicyclo[2.2.2]octan-4-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-methylidene-2,6,7-trioxa-1λ5-phosphabicyclo[2.2.2]octan-4-yl)methanol?
The IUPAC name of (1-methylidene-2,6,7-trioxa-1λ5-phosphabicyclo[2.2.2]octan-4-yl)methanol (CID 20727310) is (1-methylidene-2,6,7-trioxa-1λ5-phosphabicyclo[2.2.2]octan-4-yl)methanol.
What is the SMILES notation for (1-methylidene-2,6,7-trioxa-1λ5-phosphabicyclo[2.2.2]octan-4-yl)methanol?
The canonical SMILES for (1-methylidene-2,6,7-trioxa-1λ5-phosphabicyclo[2.2.2]octan-4-yl)methanol is C=P12OCC(CO)(CO1)CO2.
What is the InChIKey of (1-methylidene-2,6,7-trioxa-1λ5-phosphabicyclo[2.2.2]octan-4-yl)methanol?
The InChIKey is QMUBLGSQHDODGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11O4P/c1-11-8-3-6(2-7,4-9-11)5-10-11/h7H,1-5H2.
What are the key properties of (1-methylidene-2,6,7-trioxa-1λ5-phosphabicyclo[2.2.2]octan-4-yl)methanol?
(1-methylidene-2,6,7-trioxa-1λ5-phosphabicyclo[2.2.2]octan-4-yl)methanol has a molecular weight of 178.12 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylidene-2,6,7-trioxa-1λ5-phosphabicyclo[2.2.2]octan-4-yl)methanol is sourced from PubChem (CID 20727310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).