(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'}

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Related Compounds

2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane-4-methanol, 1-oxide
CID 199942
2-Hydroxy-5,5-dimethyl-1,3,2lambda5-dioxaphosphinan-2-one
CID 285304
1,3,2-Dioxaphosphorinane, 2-methoxy-5,5-dimethyl-, 2-oxide
CID 371769
2,2-Dimethyl-1,3-propanediol phosphate
CID 21409654
2-Hydroxy-5,5-bis(hydroxymethyl)-1,3,2-dioxaphosphinane 2-oxide
CID 130124961
2-Ethoxy-5,5-dimethyl-1,3,2lambda~5~-dioxaphosphinan-2-one
CID 271727
[3-Hydroxy-2,2-bis(hydroxymethyl)propyl] dihydrogen phosphate
CID 18398370
2,2-Dimethylpropane-1,3-diol;phosphoric acid
CID 71323687
Fluoro-[[2-fluoro-5-(hydroxymethyl)-2-methoxy-1,3,2-dioxaphosphinan-2-ium-5-yl]methoxy]-oxophosphanium
CID 169581440
3-Hydroxypropyl dimethyl phosphate
CID 14840641
2,2-Bis(hydroxymethyl)butyl dihydrogen phosphate
CID 18755950
5,5-Dimethyl-2-oxo-2-hydroxy-1,3,2-dioxaphosphorinane monohydrate
CID 129655302

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).