1,1,2,2-tetrahexoxyethylbenzene

C32H58O4 — CID 3939023

IUPAC1,1,2,2-tetrahexoxyethylbenzene
SMILESCCCCCCOC(OCCCCCC)C(OCCCCCC)(OCCCCCC)c1ccccc1
InChIInChI=1S/C32H58O4/c1-5-9-13-20-26-33-31(34-27-21-14-10-6-2)32(30-24-18-17-19-25-30,35-28-22-15-11-7-3)36-29-23-16-12-8-4/h17-19,24-25,31H,5-16,20-23,26-29H2,1-4H3
InChIKeyZLKJAQSFLIVXIE-UHFFFAOYSA-N
MW506.81 g/mol
LogP9.55
Rot. Bonds26

About 1,1,2,2-tetrahexoxyethylbenzene

1,1,2,2-tetrahexoxyethylbenzene (PubChem CID 3939023) has the molecular formula C32H58O4 and a molecular weight of 506.81 g/mol. Its IUPAC name is 1,1,2,2-tetrahexoxyethylbenzene.

Molecular Properties

Compound Name1,1,2,2-tetrahexoxyethylbenzene
PubChem CID3939023
Molecular FormulaC32H58O4
Molecular Weight506.81 g/mol
Exact Mass506.43
IUPAC Name1,1,2,2-tetrahexoxyethylbenzene
SMILESCCCCCCOC(OCCCCCC)C(OCCCCCC)(OCCCCCC)c1ccccc1
InChIInChI=1S/C32H58O4/c1-5-9-13-20-26-33-31(34-27-21-14-10-6-2)32(30-24-18-17-19-25-30,35-28-22-15-11-7-3)36-29-23-16-12-8-4/h17-19,24-25,31H,5-16,20-23,26-29H2,1-4H3
InChIKeyZLKJAQSFLIVXIE-UHFFFAOYSA-N
XLogP9.55
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds26
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.81
LogP ≤ 59.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1,1,2,2-tetrahexoxyethylbenzene 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

1-octadecoxy-1-phenylethanol
CID 175437177
pentoxy(diphenyl)methanol;phosphane
CID 175176254
2-hexoxy-2-phenylpropan-1-ol
CID 10105542
(2R,3S,4S,5R)-2,5-dioctadecoxy-1,6-ditrityloxyhexane-3,4-diol
CID 88631205
(2R,3S,4S,5R)-2,5-didecoxy-1,6-ditrityloxyhexane-3,4-diol
CID 88631148
bis[(Z)-octadec-9-enoxy]-phenylmethanol
CID 87219212
(1,2-dihexoxy-2-phenylethyl)benzene
CID 14092843
didecoxymethylbenzene
CID 150039155
4-[phenyl(dipropoxy)methyl]dodecanoic acid
CID 151517898
1-hexadecoxy-1-trityloxypropan-2-ol
CID 68804814
2,2-di(undecoxy)ethylbenzene
CID 3023162
1-pentoxyethylbenzene;hydrate
CID 174634303

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrahexoxyethylbenzene?
The IUPAC name of 1,1,2,2-tetrahexoxyethylbenzene (CID 3939023) is 1,1,2,2-tetrahexoxyethylbenzene.
What is the SMILES notation for 1,1,2,2-tetrahexoxyethylbenzene?
The canonical SMILES for 1,1,2,2-tetrahexoxyethylbenzene is CCCCCCOC(OCCCCCC)C(OCCCCCC)(OCCCCCC)c1ccccc1.
What is the InChIKey of 1,1,2,2-tetrahexoxyethylbenzene?
The InChIKey is ZLKJAQSFLIVXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H58O4/c1-5-9-13-20-26-33-31(34-27-21-14-10-6-2)32(30-24-18-17-19-25-30,35-28-22-15-11-7-3)36-29-23-16-12-8-4/h17-19,24-25,31H,5-16,20-23,26-29H2,1-4H3.
What are the key properties of 1,1,2,2-tetrahexoxyethylbenzene?
1,1,2,2-tetrahexoxyethylbenzene has a molecular weight of 506.81 g/mol, XLogP of 9.55, 26 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrahexoxyethylbenzene is sourced from PubChem (CID 3939023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).