2-[2-ethoxyethenyl(propan-2-yloxy)phosphoryl]oxypropane

C10H21O4P — CID 71404975

IUPAC2-[2-ethoxyethenyl(propan-2-yloxy)phosphoryl]oxypropane
SMILESCCOC=CP(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C10H21O4P/c1-6-12-7-8-15(11,13-9(2)3)14-10(4)5/h7-10H,6H2,1-5H3
InChIKeyHUXHLTWHTMTUED-UHFFFAOYSA-N
MW236.25 g/mol
LogP3.54
Rot. Bonds7

About 2-[2-ethoxyethenyl(propan-2-yloxy)phosphoryl]oxypropane

2-[2-ethoxyethenyl(propan-2-yloxy)phosphoryl]oxypropane (PubChem CID 71404975) has the molecular formula C10H21O4P and a molecular weight of 236.25 g/mol. Its IUPAC name is 2-[2-ethoxyethenyl(propan-2-yloxy)phosphoryl]oxypropane.

Molecular Properties

Compound Name2-[2-ethoxyethenyl(propan-2-yloxy)phosphoryl]oxypropane
PubChem CID71404975
Molecular FormulaC10H21O4P
Molecular Weight236.25 g/mol
Exact Mass236.12
IUPAC Name2-[2-ethoxyethenyl(propan-2-yloxy)phosphoryl]oxypropane
SMILESCCOC=CP(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C10H21O4P/c1-6-12-7-8-15(11,13-9(2)3)14-10(4)5/h7-10H,6H2,1-5H3
InChIKeyHUXHLTWHTMTUED-UHFFFAOYSA-N
XLogP3.54
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxyethenyl(propan-2-yloxy)phosphoryl]oxypropane?
The IUPAC name of 2-[2-ethoxyethenyl(propan-2-yloxy)phosphoryl]oxypropane (CID 71404975) is 2-[2-ethoxyethenyl(propan-2-yloxy)phosphoryl]oxypropane.
What is the SMILES notation for 2-[2-ethoxyethenyl(propan-2-yloxy)phosphoryl]oxypropane?
The canonical SMILES for 2-[2-ethoxyethenyl(propan-2-yloxy)phosphoryl]oxypropane is CCOC=CP(=O)(OC(C)C)OC(C)C.
What is the InChIKey of 2-[2-ethoxyethenyl(propan-2-yloxy)phosphoryl]oxypropane?
The InChIKey is HUXHLTWHTMTUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21O4P/c1-6-12-7-8-15(11,13-9(2)3)14-10(4)5/h7-10H,6H2,1-5H3.
What are the key properties of 2-[2-ethoxyethenyl(propan-2-yloxy)phosphoryl]oxypropane?
2-[2-ethoxyethenyl(propan-2-yloxy)phosphoryl]oxypropane has a molecular weight of 236.25 g/mol, XLogP of 3.54, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxyethenyl(propan-2-yloxy)phosphoryl]oxypropane is sourced from PubChem (CID 71404975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).