(2-methoxy-5-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)methanol

C6H13O5P — CID 12795632

IUPAC(2-methoxy-5-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)methanol
SMILESCOP1(=O)OCC(C)(CO)CO1
InChIInChI=1S/C6H13O5P/c1-6(3-7)4-10-12(8,9-2)11-5-6/h7H,3-5H2,1-2H3
InChIKeyPNSQOQKZRGSJIZ-UHFFFAOYSA-N
MW196.14 g/mol
LogP0.79
Rot. Bonds2

About (2-methoxy-5-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)methanol

(2-methoxy-5-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)methanol (PubChem CID 12795632) has the molecular formula C6H13O5P and a molecular weight of 196.14 g/mol. Its IUPAC name is (2-methoxy-5-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)methanol.

Molecular Properties

Compound Name(2-methoxy-5-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)methanol
PubChem CID12795632
Molecular FormulaC6H13O5P
Molecular Weight196.14 g/mol
Exact Mass196.05
IUPAC Name(2-methoxy-5-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)methanol
SMILESCOP1(=O)OCC(C)(CO)CO1
InChIInChI=1S/C6H13O5P/c1-6(3-7)4-10-12(8,9-2)11-5-6/h7H,3-5H2,1-2H3
InChIKeyPNSQOQKZRGSJIZ-UHFFFAOYSA-N
XLogP0.79
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.14
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2-methoxy-5-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-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 (2-methoxy-5-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)methanol?
The IUPAC name of (2-methoxy-5-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)methanol (CID 12795632) is (2-methoxy-5-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)methanol.
What is the SMILES notation for (2-methoxy-5-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)methanol?
The canonical SMILES for (2-methoxy-5-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)methanol is COP1(=O)OCC(C)(CO)CO1.
What is the InChIKey of (2-methoxy-5-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)methanol?
The InChIKey is PNSQOQKZRGSJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O5P/c1-6(3-7)4-10-12(8,9-2)11-5-6/h7H,3-5H2,1-2H3.
What are the key properties of (2-methoxy-5-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)methanol?
(2-methoxy-5-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)methanol has a molecular weight of 196.14 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-5-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)methanol is sourced from PubChem (CID 12795632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).