(1-ethoxy-3-methoxypropan-2-yl)oxy-methoxyphosphane

C7H17O4P — CID 54121938

IUPAC(1-ethoxy-3-methoxypropan-2-yl)oxy-methoxyphosphane
SMILESCCOCC(COC)OPOC
InChIInChI=1S/C7H17O4P/c1-4-10-6-7(5-8-2)11-12-9-3/h7,12H,4-6H2,1-3H3
InChIKeyNOIAKPVTZIMEAI-UHFFFAOYSA-N
MW196.18 g/mol
LogP1.21
Rot. Bonds8

About (1-ethoxy-3-methoxypropan-2-yl)oxy-methoxyphosphane

(1-ethoxy-3-methoxypropan-2-yl)oxy-methoxyphosphane (PubChem CID 54121938) has the molecular formula C7H17O4P and a molecular weight of 196.18 g/mol. Its IUPAC name is (1-ethoxy-3-methoxypropan-2-yl)oxy-methoxyphosphane.

Molecular Properties

Compound Name(1-ethoxy-3-methoxypropan-2-yl)oxy-methoxyphosphane
PubChem CID54121938
Molecular FormulaC7H17O4P
Molecular Weight196.18 g/mol
Exact Mass196.09
IUPAC Name(1-ethoxy-3-methoxypropan-2-yl)oxy-methoxyphosphane
SMILESCCOCC(COC)OPOC
InChIInChI=1S/C7H17O4P/c1-4-10-6-7(5-8-2)11-12-9-3/h7,12H,4-6H2,1-3H3
InChIKeyNOIAKPVTZIMEAI-UHFFFAOYSA-N
XLogP1.21
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-3-methoxypropan-2-yl)oxy-methoxyphosphane?
The IUPAC name of (1-ethoxy-3-methoxypropan-2-yl)oxy-methoxyphosphane (CID 54121938) is (1-ethoxy-3-methoxypropan-2-yl)oxy-methoxyphosphane.
What is the SMILES notation for (1-ethoxy-3-methoxypropan-2-yl)oxy-methoxyphosphane?
The canonical SMILES for (1-ethoxy-3-methoxypropan-2-yl)oxy-methoxyphosphane is CCOCC(COC)OPOC.
What is the InChIKey of (1-ethoxy-3-methoxypropan-2-yl)oxy-methoxyphosphane?
The InChIKey is NOIAKPVTZIMEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17O4P/c1-4-10-6-7(5-8-2)11-12-9-3/h7,12H,4-6H2,1-3H3.
What are the key properties of (1-ethoxy-3-methoxypropan-2-yl)oxy-methoxyphosphane?
(1-ethoxy-3-methoxypropan-2-yl)oxy-methoxyphosphane has a molecular weight of 196.18 g/mol, XLogP of 1.21, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-3-methoxypropan-2-yl)oxy-methoxyphosphane is sourced from PubChem (CID 54121938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).