1,2,3,4,5-pentaethoxy-6-methylbenzene

C17H28O5 — CID 173439159

IUPAC1,2,3,4,5-pentaethoxy-6-methylbenzene
SMILESCCOc1c(C)c(OCC)c(OCC)c(OCC)c1OCC
InChIInChI=1S/C17H28O5/c1-7-18-13-12(6)14(19-8-2)16(21-10-4)17(22-11-5)15(13)20-9-3/h7-11H2,1-6H3
InChIKeyGMHWVOHIKREGDX-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.99
Rot. Bonds10

About 1,2,3,4,5-pentaethoxy-6-methylbenzene

1,2,3,4,5-pentaethoxy-6-methylbenzene (PubChem CID 173439159) has the molecular formula C17H28O5 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1,2,3,4,5-pentaethoxy-6-methylbenzene.

Molecular Properties

Compound Name1,2,3,4,5-pentaethoxy-6-methylbenzene
PubChem CID173439159
Molecular FormulaC17H28O5
Molecular Weight312.41 g/mol
Exact Mass312.19
IUPAC Name1,2,3,4,5-pentaethoxy-6-methylbenzene
SMILESCCOc1c(C)c(OCC)c(OCC)c(OCC)c1OCC
InChIInChI=1S/C17H28O5/c1-7-18-13-12(6)14(19-8-2)16(21-10-4)17(22-11-5)15(13)20-9-3/h7-11H2,1-6H3
InChIKeyGMHWVOHIKREGDX-UHFFFAOYSA-N
XLogP3.99
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentaethoxy-6-methylbenzene?
The IUPAC name of 1,2,3,4,5-pentaethoxy-6-methylbenzene (CID 173439159) is 1,2,3,4,5-pentaethoxy-6-methylbenzene.
What is the SMILES notation for 1,2,3,4,5-pentaethoxy-6-methylbenzene?
The canonical SMILES for 1,2,3,4,5-pentaethoxy-6-methylbenzene is CCOc1c(C)c(OCC)c(OCC)c(OCC)c1OCC.
What is the InChIKey of 1,2,3,4,5-pentaethoxy-6-methylbenzene?
The InChIKey is GMHWVOHIKREGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O5/c1-7-18-13-12(6)14(19-8-2)16(21-10-4)17(22-11-5)15(13)20-9-3/h7-11H2,1-6H3.
What are the key properties of 1,2,3,4,5-pentaethoxy-6-methylbenzene?
1,2,3,4,5-pentaethoxy-6-methylbenzene has a molecular weight of 312.41 g/mol, XLogP of 3.99, 10 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-pentaethoxy-6-methylbenzene is sourced from PubChem (CID 173439159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).