1,2,3,4,5-pentapropoxybenzene

C21H36O5 — CID 91365553

IUPAC1,2,3,4,5-pentapropoxybenzene
SMILESCCCOc1cc(OCCC)c(OCCC)c(OCCC)c1OCCC
InChIInChI=1S/C21H36O5/c1-6-11-22-17-16-18(23-12-7-2)20(25-14-9-4)21(26-15-10-5)19(17)24-13-8-3/h16H,6-15H2,1-5H3
InChIKeyZLOJHYXDTDTVRI-UHFFFAOYSA-N
MW368.51 g/mol
LogP5.63
Rot. Bonds15

About 1,2,3,4,5-pentapropoxybenzene

1,2,3,4,5-pentapropoxybenzene (PubChem CID 91365553) has the molecular formula C21H36O5 and a molecular weight of 368.51 g/mol. Its IUPAC name is 1,2,3,4,5-pentapropoxybenzene.

Molecular Properties

Compound Name1,2,3,4,5-pentapropoxybenzene
PubChem CID91365553
Molecular FormulaC21H36O5
Molecular Weight368.51 g/mol
Exact Mass368.26
IUPAC Name1,2,3,4,5-pentapropoxybenzene
SMILESCCCOc1cc(OCCC)c(OCCC)c(OCCC)c1OCCC
InChIInChI=1S/C21H36O5/c1-6-11-22-17-16-18(23-12-7-2)20(25-14-9-4)21(26-15-10-5)19(17)24-13-8-3/h16H,6-15H2,1-5H3
InChIKeyZLOJHYXDTDTVRI-UHFFFAOYSA-N
XLogP5.63
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.51
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1,2,3,4,5-pentapropoxybenzene with MolForge

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

Launch Full Analysis

Related Compounds

2,3,6,7,10,11-hexapropoxytriphenylene
CID 15531608
5-ethenyl-1,2,3-tripropoxybenzene
CID 102253106
methyl 3,4,5-tripropoxybenzoate
CID 19820325
2,3,6,7-tetrapropoxyanthracene
CID 102343273
2,6,10-tripentoxy-3,7,11-tripropoxytriphenylene
CID 101030004
1-butoxy-3,4-diethoxy-2-propoxybenzene
CID 70308911
1,2,3,4-tetramethyl-5-propoxybenzene
CID 143028127
5-diethoxyphosphoryl-1,2,3-tripropoxybenzene
CID 100944077
1,5-dichloro-3-ethoxy-2-propoxybenzene
CID 125116590
1,2,3,6,7,10,11-heptaoctoxytriphenylene
CID 102010949
5-[(E)-2-(4-bromophenyl)ethenyl]-1,2,3-tripropoxybenzene
CID 640261
5-methyl-1,2,3-tri(undecoxy)benzene
CID 91267120

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentapropoxybenzene?
The IUPAC name of 1,2,3,4,5-pentapropoxybenzene (CID 91365553) is 1,2,3,4,5-pentapropoxybenzene.
What is the SMILES notation for 1,2,3,4,5-pentapropoxybenzene?
The canonical SMILES for 1,2,3,4,5-pentapropoxybenzene is CCCOc1cc(OCCC)c(OCCC)c(OCCC)c1OCCC.
What is the InChIKey of 1,2,3,4,5-pentapropoxybenzene?
The InChIKey is ZLOJHYXDTDTVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36O5/c1-6-11-22-17-16-18(23-12-7-2)20(25-14-9-4)21(26-15-10-5)19(17)24-13-8-3/h16H,6-15H2,1-5H3.
What are the key properties of 1,2,3,4,5-pentapropoxybenzene?
1,2,3,4,5-pentapropoxybenzene has a molecular weight of 368.51 g/mol, XLogP of 5.63, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentapropoxybenzene is sourced from PubChem (CID 91365553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).