3-[bis(diethoxyphosphoryl)methoxy]prop-1-ene

C12H26O7P2 — CID 23631229

IUPAC3-[bis(diethoxyphosphoryl)methoxy]prop-1-ene
SMILESC=CCOC(P(=O)(OCC)OCC)P(=O)(OCC)OCC
InChIInChI=1S/C12H26O7P2/c1-6-11-15-12(20(13,16-7-2)17-8-3)21(14,18-9-4)19-10-5/h6,12H,1,7-11H2,2-5H3
InChIKeyKFNNGKSKCZUMGU-UHFFFAOYSA-N
MW344.28 g/mol
LogP4.00
Rot. Bonds13

About 3-[bis(diethoxyphosphoryl)methoxy]prop-1-ene

3-[bis(diethoxyphosphoryl)methoxy]prop-1-ene (PubChem CID 23631229) has the molecular formula C12H26O7P2 and a molecular weight of 344.28 g/mol. Its IUPAC name is 3-[bis(diethoxyphosphoryl)methoxy]prop-1-ene.

Molecular Properties

Compound Name3-[bis(diethoxyphosphoryl)methoxy]prop-1-ene
PubChem CID23631229
Molecular FormulaC12H26O7P2
Molecular Weight344.28 g/mol
Exact Mass344.12
IUPAC Name3-[bis(diethoxyphosphoryl)methoxy]prop-1-ene
SMILESC=CCOC(P(=O)(OCC)OCC)P(=O)(OCC)OCC
InChIInChI=1S/C12H26O7P2/c1-6-11-15-12(20(13,16-7-2)17-8-3)21(14,18-9-4)19-10-5/h6,12H,1,7-11H2,2-5H3
InChIKeyKFNNGKSKCZUMGU-UHFFFAOYSA-N
XLogP4.00
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.28
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[bis(diethoxyphosphoryl)methoxy]prop-1-ene?
The IUPAC name of 3-[bis(diethoxyphosphoryl)methoxy]prop-1-ene (CID 23631229) is 3-[bis(diethoxyphosphoryl)methoxy]prop-1-ene.
What is the SMILES notation for 3-[bis(diethoxyphosphoryl)methoxy]prop-1-ene?
The canonical SMILES for 3-[bis(diethoxyphosphoryl)methoxy]prop-1-ene is C=CCOC(P(=O)(OCC)OCC)P(=O)(OCC)OCC.
What is the InChIKey of 3-[bis(diethoxyphosphoryl)methoxy]prop-1-ene?
The InChIKey is KFNNGKSKCZUMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O7P2/c1-6-11-15-12(20(13,16-7-2)17-8-3)21(14,18-9-4)19-10-5/h6,12H,1,7-11H2,2-5H3.
What are the key properties of 3-[bis(diethoxyphosphoryl)methoxy]prop-1-ene?
3-[bis(diethoxyphosphoryl)methoxy]prop-1-ene has a molecular weight of 344.28 g/mol, XLogP of 4.00, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(diethoxyphosphoryl)methoxy]prop-1-ene is sourced from PubChem (CID 23631229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).