5-diethoxyphosphoryl-1,2,3-tripropoxybenzene

C19H33O6P — CID 100944077

IUPAC5-diethoxyphosphoryl-1,2,3-tripropoxybenzene
SMILESCCCOc1cc(P(=O)(OCC)OCC)cc(OCCC)c1OCCC
InChIInChI=1S/C19H33O6P/c1-6-11-21-17-14-16(26(20,24-9-4)25-10-5)15-18(22-12-7-2)19(17)23-13-8-3/h14-15H,6-13H2,1-5H3
InChIKeyWUYCAKRKRNPIGC-UHFFFAOYSA-N
MW388.44 g/mol
LogP4.94
Rot. Bonds14

About 5-diethoxyphosphoryl-1,2,3-tripropoxybenzene

5-diethoxyphosphoryl-1,2,3-tripropoxybenzene (PubChem CID 100944077) has the molecular formula C19H33O6P and a molecular weight of 388.44 g/mol. Its IUPAC name is 5-diethoxyphosphoryl-1,2,3-tripropoxybenzene.

Molecular Properties

Compound Name5-diethoxyphosphoryl-1,2,3-tripropoxybenzene
PubChem CID100944077
Molecular FormulaC19H33O6P
Molecular Weight388.44 g/mol
Exact Mass388.20
IUPAC Name5-diethoxyphosphoryl-1,2,3-tripropoxybenzene
SMILESCCCOc1cc(P(=O)(OCC)OCC)cc(OCCC)c1OCCC
InChIInChI=1S/C19H33O6P/c1-6-11-21-17-14-16(26(20,24-9-4)25-10-5)15-18(22-12-7-2)19(17)23-13-8-3/h14-15H,6-13H2,1-5H3
InChIKeyWUYCAKRKRNPIGC-UHFFFAOYSA-N
XLogP4.94
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 54.94
H-Bond Donors ≤ 50
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 5-diethoxyphosphoryl-1,2,3-tripropoxybenzene?
The IUPAC name of 5-diethoxyphosphoryl-1,2,3-tripropoxybenzene (CID 100944077) is 5-diethoxyphosphoryl-1,2,3-tripropoxybenzene.
What is the SMILES notation for 5-diethoxyphosphoryl-1,2,3-tripropoxybenzene?
The canonical SMILES for 5-diethoxyphosphoryl-1,2,3-tripropoxybenzene is CCCOc1cc(P(=O)(OCC)OCC)cc(OCCC)c1OCCC.
What is the InChIKey of 5-diethoxyphosphoryl-1,2,3-tripropoxybenzene?
The InChIKey is WUYCAKRKRNPIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33O6P/c1-6-11-21-17-14-16(26(20,24-9-4)25-10-5)15-18(22-12-7-2)19(17)23-13-8-3/h14-15H,6-13H2,1-5H3.
What are the key properties of 5-diethoxyphosphoryl-1,2,3-tripropoxybenzene?
5-diethoxyphosphoryl-1,2,3-tripropoxybenzene has a molecular weight of 388.44 g/mol, XLogP of 4.94, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-diethoxyphosphoryl-1,2,3-tripropoxybenzene is sourced from PubChem (CID 100944077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).