(2-ethoxy-5-methyl-1,3,2-dioxaphosphinan-5-yl)methyl methyl hydrogen phosphite

C8H18O6P2 — CID 22973532

IUPAC(2-ethoxy-5-methyl-1,3,2-dioxaphosphinan-5-yl)methyl methyl hydrogen phosphite
SMILESCCOP1OCC(C)(COP(O)OC)CO1
InChIInChI=1S/C8H18O6P2/c1-4-11-16-13-6-8(2,7-14-16)5-12-15(9)10-3/h9H,4-7H2,1-3H3
InChIKeyWYEAFUYMJXLNBF-UHFFFAOYSA-N
MW272.17 g/mol
LogP2.19
Rot. Bonds6

About (2-ethoxy-5-methyl-1,3,2-dioxaphosphinan-5-yl)methyl methyl hydrogen phosphite

(2-ethoxy-5-methyl-1,3,2-dioxaphosphinan-5-yl)methyl methyl hydrogen phosphite (PubChem CID 22973532) has the molecular formula C8H18O6P2 and a molecular weight of 272.17 g/mol. Its IUPAC name is (2-ethoxy-5-methyl-1,3,2-dioxaphosphinan-5-yl)methyl methyl hydrogen phosphite.

Molecular Properties

Compound Name(2-ethoxy-5-methyl-1,3,2-dioxaphosphinan-5-yl)methyl methyl hydrogen phosphite
PubChem CID22973532
Molecular FormulaC8H18O6P2
Molecular Weight272.17 g/mol
Exact Mass272.06
IUPAC Name(2-ethoxy-5-methyl-1,3,2-dioxaphosphinan-5-yl)methyl methyl hydrogen phosphite
SMILESCCOP1OCC(C)(COP(O)OC)CO1
InChIInChI=1S/C8H18O6P2/c1-4-11-16-13-6-8(2,7-14-16)5-12-15(9)10-3/h9H,4-7H2,1-3H3
InChIKeyWYEAFUYMJXLNBF-UHFFFAOYSA-N
XLogP2.19
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-5-methyl-1,3,2-dioxaphosphinan-5-yl)methyl methyl hydrogen phosphite?
The IUPAC name of (2-ethoxy-5-methyl-1,3,2-dioxaphosphinan-5-yl)methyl methyl hydrogen phosphite (CID 22973532) is (2-ethoxy-5-methyl-1,3,2-dioxaphosphinan-5-yl)methyl methyl hydrogen phosphite.
What is the SMILES notation for (2-ethoxy-5-methyl-1,3,2-dioxaphosphinan-5-yl)methyl methyl hydrogen phosphite?
The canonical SMILES for (2-ethoxy-5-methyl-1,3,2-dioxaphosphinan-5-yl)methyl methyl hydrogen phosphite is CCOP1OCC(C)(COP(O)OC)CO1.
What is the InChIKey of (2-ethoxy-5-methyl-1,3,2-dioxaphosphinan-5-yl)methyl methyl hydrogen phosphite?
The InChIKey is WYEAFUYMJXLNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O6P2/c1-4-11-16-13-6-8(2,7-14-16)5-12-15(9)10-3/h9H,4-7H2,1-3H3.
What are the key properties of (2-ethoxy-5-methyl-1,3,2-dioxaphosphinan-5-yl)methyl methyl hydrogen phosphite?
(2-ethoxy-5-methyl-1,3,2-dioxaphosphinan-5-yl)methyl methyl hydrogen phosphite has a molecular weight of 272.17 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-5-methyl-1,3,2-dioxaphosphinan-5-yl)methyl methyl hydrogen phosphite is sourced from PubChem (CID 22973532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).