1,5-bis(diethoxyphosphorylmethyl)-2,4-dimethylbenzene

C18H32O6P2 — CID 10787490

IUPAC1,5-bis(diethoxyphosphorylmethyl)-2,4-dimethylbenzene
SMILESCCOP(=O)(Cc1cc(CP(=O)(OCC)OCC)c(C)cc1C)OCC
InChIInChI=1S/C18H32O6P2/c1-7-21-25(19,22-8-2)13-17-12-18(16(6)11-15(17)5)14-26(20,23-9-3)24-10-4/h11-12H,7-10,13-14H2,1-6H3
InChIKeyTZIVKFFJHJSKID-UHFFFAOYSA-N
MW406.40 g/mol
LogP5.84
Rot. Bonds12

About 1,5-bis(diethoxyphosphorylmethyl)-2,4-dimethylbenzene

1,5-bis(diethoxyphosphorylmethyl)-2,4-dimethylbenzene (PubChem CID 10787490) has the molecular formula C18H32O6P2 and a molecular weight of 406.40 g/mol. Its IUPAC name is 1,5-bis(diethoxyphosphorylmethyl)-2,4-dimethylbenzene.

Molecular Properties

Compound Name1,5-bis(diethoxyphosphorylmethyl)-2,4-dimethylbenzene
PubChem CID10787490
Molecular FormulaC18H32O6P2
Molecular Weight406.40 g/mol
Exact Mass406.17
IUPAC Name1,5-bis(diethoxyphosphorylmethyl)-2,4-dimethylbenzene
SMILESCCOP(=O)(Cc1cc(CP(=O)(OCC)OCC)c(C)cc1C)OCC
InChIInChI=1S/C18H32O6P2/c1-7-21-25(19,22-8-2)13-17-12-18(16(6)11-15(17)5)14-26(20,23-9-3)24-10-4/h11-12H,7-10,13-14H2,1-6H3
InChIKeyTZIVKFFJHJSKID-UHFFFAOYSA-N
XLogP5.84
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.40
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1,5-bis(diethoxyphosphorylmethyl)-2,4-dimethylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(diethoxyphosphorylmethyl)-2,4-dimethylbenzene?
The IUPAC name of 1,5-bis(diethoxyphosphorylmethyl)-2,4-dimethylbenzene (CID 10787490) is 1,5-bis(diethoxyphosphorylmethyl)-2,4-dimethylbenzene.
What is the SMILES notation for 1,5-bis(diethoxyphosphorylmethyl)-2,4-dimethylbenzene?
The canonical SMILES for 1,5-bis(diethoxyphosphorylmethyl)-2,4-dimethylbenzene is CCOP(=O)(Cc1cc(CP(=O)(OCC)OCC)c(C)cc1C)OCC.
What is the InChIKey of 1,5-bis(diethoxyphosphorylmethyl)-2,4-dimethylbenzene?
The InChIKey is TZIVKFFJHJSKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O6P2/c1-7-21-25(19,22-8-2)13-17-12-18(16(6)11-15(17)5)14-26(20,23-9-3)24-10-4/h11-12H,7-10,13-14H2,1-6H3.
What are the key properties of 1,5-bis(diethoxyphosphorylmethyl)-2,4-dimethylbenzene?
1,5-bis(diethoxyphosphorylmethyl)-2,4-dimethylbenzene has a molecular weight of 406.40 g/mol, XLogP of 5.84, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(diethoxyphosphorylmethyl)-2,4-dimethylbenzene is sourced from PubChem (CID 10787490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).