1,8,8-triethoxy-1-(1,8,8-triethoxyoct-2-enoxy)oct-2-ene

C28H54O7 — CID 162350652

IUPAC1,8,8-triethoxy-1-(1,8,8-triethoxyoct-2-enoxy)oct-2-ene
SMILESCCOC(C=CCCCCC(OCC)OCC)OC(C=CCCCCC(OCC)OCC)OCC
InChIInChI=1S/C28H54O7/c1-7-29-25(30-8-2)21-17-13-15-19-23-27(33-11-5)35-28(34-12-6)24-20-16-14-18-22-26(31-9-3)32-10-4/h19-20,23-28H,7-18,21-22H2,1-6H3
InChIKeyUCGZKYDDKOEGIV-UHFFFAOYSA-N
MW502.73 g/mol
LogP6.76
Rot. Bonds26

About 1,8,8-triethoxy-1-(1,8,8-triethoxyoct-2-enoxy)oct-2-ene

1,8,8-triethoxy-1-(1,8,8-triethoxyoct-2-enoxy)oct-2-ene (PubChem CID 162350652) has the molecular formula C28H54O7 and a molecular weight of 502.73 g/mol. Its IUPAC name is 1,8,8-triethoxy-1-(1,8,8-triethoxyoct-2-enoxy)oct-2-ene.

Molecular Properties

Compound Name1,8,8-triethoxy-1-(1,8,8-triethoxyoct-2-enoxy)oct-2-ene
PubChem CID162350652
Molecular FormulaC28H54O7
Molecular Weight502.73 g/mol
Exact Mass502.39
IUPAC Name1,8,8-triethoxy-1-(1,8,8-triethoxyoct-2-enoxy)oct-2-ene
SMILESCCOC(C=CCCCCC(OCC)OCC)OC(C=CCCCCC(OCC)OCC)OCC
InChIInChI=1S/C28H54O7/c1-7-29-25(30-8-2)21-17-13-15-19-23-27(33-11-5)35-28(34-12-6)24-20-16-14-18-22-26(31-9-3)32-10-4/h19-20,23-28H,7-18,21-22H2,1-6H3
InChIKeyUCGZKYDDKOEGIV-UHFFFAOYSA-N
XLogP6.76
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds26
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.73
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1,8,8-triethoxy-1-(1,8,8-triethoxyoct-2-enoxy)oct-2-ene 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-ethoxy-1-(1-ethoxy-13,13-dipropoxytridec-2-enoxy)-13,13-dipropoxytridec-2-ene
CID 163287964
1-(15,15-diethoxy-1-propoxypentadec-2-enoxy)-15,15-diethoxy-1-propoxypentadec-2-ene
CID 163287744
1,6,6-triethoxy-1-(1,6,6-triethoxyhex-2-enoxy)hex-2-ene
CID 162350431
1-ethoxy-1-(1-ethoxy-8,8-dihexoxyoct-2-enoxy)-8,8-dihexoxyoct-2-ene
CID 162350665
1-[8-[8,8-di(nonoxy)-1-pentoxyoct-2-enoxy]-1-nonoxy-8-pentoxyoct-6-enoxy]nonane
CID 162350401
1-decoxy-1-(1-decoxy-13,13-dipentoxytridec-2-enoxy)-13,13-dipentoxytridec-2-ene
CID 163287830
1-(15,15-dihexoxy-1-pentoxypentadec-2-enoxy)-15,15-dihexoxy-1-pentoxypentadec-2-ene
CID 163287619
1-(15,15-dioctoxy-1-pentoxypentadec-2-enoxy)-15,15-dioctoxy-1-pentoxypentadec-2-ene
CID 163287987
1-(13,13-diheptoxy-1-pentoxytridec-2-enoxy)-13,13-diheptoxy-1-pentoxytridec-2-ene
CID 163287822
1-hexoxy-1-[1-hexoxy-15,15-di(nonoxy)pentadec-2-enoxy]-15,15-di(nonoxy)pentadec-2-ene
CID 163287991
13,13-dibutoxy-1-(13,13-dibutoxy-1-propoxytridec-2-enoxy)-1-propoxytridec-2-ene
CID 163287774
13,13-dibutoxy-1-(13,13-dibutoxy-1-nonoxytridec-2-enoxy)-1-nonoxytridec-2-ene
CID 163287819

Frequently Asked Questions

What is the IUPAC name of 1,8,8-triethoxy-1-(1,8,8-triethoxyoct-2-enoxy)oct-2-ene?
The IUPAC name of 1,8,8-triethoxy-1-(1,8,8-triethoxyoct-2-enoxy)oct-2-ene (CID 162350652) is 1,8,8-triethoxy-1-(1,8,8-triethoxyoct-2-enoxy)oct-2-ene.
What is the SMILES notation for 1,8,8-triethoxy-1-(1,8,8-triethoxyoct-2-enoxy)oct-2-ene?
The canonical SMILES for 1,8,8-triethoxy-1-(1,8,8-triethoxyoct-2-enoxy)oct-2-ene is CCOC(C=CCCCCC(OCC)OCC)OC(C=CCCCCC(OCC)OCC)OCC.
What is the InChIKey of 1,8,8-triethoxy-1-(1,8,8-triethoxyoct-2-enoxy)oct-2-ene?
The InChIKey is UCGZKYDDKOEGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H54O7/c1-7-29-25(30-8-2)21-17-13-15-19-23-27(33-11-5)35-28(34-12-6)24-20-16-14-18-22-26(31-9-3)32-10-4/h19-20,23-28H,7-18,21-22H2,1-6H3.
What are the key properties of 1,8,8-triethoxy-1-(1,8,8-triethoxyoct-2-enoxy)oct-2-ene?
1,8,8-triethoxy-1-(1,8,8-triethoxyoct-2-enoxy)oct-2-ene has a molecular weight of 502.73 g/mol, XLogP of 6.76, 26 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8,8-triethoxy-1-(1,8,8-triethoxyoct-2-enoxy)oct-2-ene is sourced from PubChem (CID 162350652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).