1-(2,3-diethoxy-1-pentoxyoct-2-enoxy)-2,3-diethoxy-1-pentoxyoct-2-ene

C34H66O7 — CID 175177135

IUPAC1-(2,3-diethoxy-1-pentoxyoct-2-enoxy)-2,3-diethoxy-1-pentoxyoct-2-ene
SMILESCCCCCOC(OC(OCCCCC)C(OCC)=C(CCCCC)OCC)C(OCC)=C(CCCCC)OCC
InChIInChI=1S/C34H66O7/c1-9-17-21-25-29(35-13-5)31(37-15-7)33(39-27-23-19-11-3)41-34(40-28-24-20-12-4)32(38-16-8)30(36-14-6)26-22-18-10-2/h33-34H,9-28H2,1-8H3
InChIKeyHLDZJHHFMALUPC-UHFFFAOYSA-N
MW586.90 g/mol
LogP9.80
Rot. Bonds30

About 1-(2,3-diethoxy-1-pentoxyoct-2-enoxy)-2,3-diethoxy-1-pentoxyoct-2-ene

1-(2,3-diethoxy-1-pentoxyoct-2-enoxy)-2,3-diethoxy-1-pentoxyoct-2-ene (PubChem CID 175177135) has the molecular formula C34H66O7 and a molecular weight of 586.90 g/mol. Its IUPAC name is 1-(2,3-diethoxy-1-pentoxyoct-2-enoxy)-2,3-diethoxy-1-pentoxyoct-2-ene.

Molecular Properties

Compound Name1-(2,3-diethoxy-1-pentoxyoct-2-enoxy)-2,3-diethoxy-1-pentoxyoct-2-ene
PubChem CID175177135
Molecular FormulaC34H66O7
Molecular Weight586.90 g/mol
Exact Mass586.48
IUPAC Name1-(2,3-diethoxy-1-pentoxyoct-2-enoxy)-2,3-diethoxy-1-pentoxyoct-2-ene
SMILESCCCCCOC(OC(OCCCCC)C(OCC)=C(CCCCC)OCC)C(OCC)=C(CCCCC)OCC
InChIInChI=1S/C34H66O7/c1-9-17-21-25-29(35-13-5)31(37-15-7)33(39-27-23-19-11-3)41-34(40-28-24-20-12-4)32(38-16-8)30(36-14-6)26-22-18-10-2/h33-34H,9-28H2,1-8H3
InChIKeyHLDZJHHFMALUPC-UHFFFAOYSA-N
XLogP9.80
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds30
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.90
LogP ≤ 59.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1,2,3-triethoxy-1-(1,2,3-triethoxypentadec-2-enoxy)pentadec-2-ene
CID 175226174
2,3-dibutoxy-1-(2,3-dibutoxy-1-pentoxyoct-2-enoxy)-1-pentoxyoct-2-ene
CID 175177310
1-ethoxy-1-(1-ethoxy-2,3-dipropoxytridec-2-enoxy)-2,3-dipropoxytridec-2-ene
CID 175225384
1-(2,3-dimethoxy-1-pentoxyoct-2-enoxy)-2,3-dimethoxy-1-pentoxyoct-2-ene
CID 175167179
1-(2,3-diethoxy-1-methoxyhept-2-enoxy)-2,3-diethoxy-1-methoxyhept-2-ene
CID 175165112
1-(2,3-dimethoxy-1-nonoxytridec-2-enoxy)-2,3-dimethoxy-1-nonoxytridec-2-ene
CID 175225179
1-methoxy-1-(1-methoxy-2,3-dipropoxydodec-2-enoxy)-2,3-dipropoxydodec-2-ene
CID 175164388
2-(3,4-diethoxyhexadec-3-en-2-yloxymethoxymethoxy)-3,4-diethoxyhexadec-3-ene
CID 175226176
3-(4,5-diethoxypentadec-4-en-3-yloxymethoxymethoxy)-4,5-diethoxypentadec-4-ene
CID 175225349
8-(7,8-diethoxytridec-7-en-6-yloxymethoxymethoxy)-6,7-diethoxytridec-6-ene
CID 175165421
8-(9,10-dihexoxyicos-9-en-8-yloxymethoxymethoxy)-9,10-dihexoxyicos-9-ene
CID 175226171
4-(5,6-diheptoxyhexadec-5-en-4-yloxymethoxymethoxy)-5,6-diheptoxyhexadec-5-ene
CID 175225984

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-diethoxy-1-pentoxyoct-2-enoxy)-2,3-diethoxy-1-pentoxyoct-2-ene?
The IUPAC name of 1-(2,3-diethoxy-1-pentoxyoct-2-enoxy)-2,3-diethoxy-1-pentoxyoct-2-ene (CID 175177135) is 1-(2,3-diethoxy-1-pentoxyoct-2-enoxy)-2,3-diethoxy-1-pentoxyoct-2-ene.
What is the SMILES notation for 1-(2,3-diethoxy-1-pentoxyoct-2-enoxy)-2,3-diethoxy-1-pentoxyoct-2-ene?
The canonical SMILES for 1-(2,3-diethoxy-1-pentoxyoct-2-enoxy)-2,3-diethoxy-1-pentoxyoct-2-ene is CCCCCOC(OC(OCCCCC)C(OCC)=C(CCCCC)OCC)C(OCC)=C(CCCCC)OCC.
What is the InChIKey of 1-(2,3-diethoxy-1-pentoxyoct-2-enoxy)-2,3-diethoxy-1-pentoxyoct-2-ene?
The InChIKey is HLDZJHHFMALUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H66O7/c1-9-17-21-25-29(35-13-5)31(37-15-7)33(39-27-23-19-11-3)41-34(40-28-24-20-12-4)32(38-16-8)30(36-14-6)26-22-18-10-2/h33-34H,9-28H2,1-8H3.
What are the key properties of 1-(2,3-diethoxy-1-pentoxyoct-2-enoxy)-2,3-diethoxy-1-pentoxyoct-2-ene?
1-(2,3-diethoxy-1-pentoxyoct-2-enoxy)-2,3-diethoxy-1-pentoxyoct-2-ene has a molecular weight of 586.90 g/mol, XLogP of 9.80, 30 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-diethoxy-1-pentoxyoct-2-enoxy)-2,3-diethoxy-1-pentoxyoct-2-ene is sourced from PubChem (CID 175177135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).