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

C28H54O7 — CID 175171360

IUPAC1-(2,3-diethoxy-1-methoxynon-2-enoxy)-2,3-diethoxy-1-methoxynon-2-ene
SMILESCCCCCCC(OCC)=C(OCC)C(OC)OC(OC)C(OCC)=C(CCCCCC)OCC
InChIInChI=1S/C28H54O7/c1-9-15-17-19-21-23(31-11-3)25(33-13-5)27(29-7)35-28(30-8)26(34-14-6)24(32-12-4)22-20-18-16-10-2/h27-28H,9-22H2,1-8H3
InChIKeyCOIHJDOWZDPLFY-UHFFFAOYSA-N
MW502.73 g/mol
LogP7.46
Rot. Bonds24

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

1-(2,3-diethoxy-1-methoxynon-2-enoxy)-2,3-diethoxy-1-methoxynon-2-ene (PubChem CID 175171360) has the molecular formula C28H54O7 and a molecular weight of 502.73 g/mol. Its IUPAC name is 1-(2,3-diethoxy-1-methoxynon-2-enoxy)-2,3-diethoxy-1-methoxynon-2-ene.

Molecular Properties

Compound Name1-(2,3-diethoxy-1-methoxynon-2-enoxy)-2,3-diethoxy-1-methoxynon-2-ene
PubChem CID175171360
Molecular FormulaC28H54O7
Molecular Weight502.73 g/mol
Exact Mass502.39
IUPAC Name1-(2,3-diethoxy-1-methoxynon-2-enoxy)-2,3-diethoxy-1-methoxynon-2-ene
SMILESCCCCCCC(OCC)=C(OCC)C(OC)OC(OC)C(OCC)=C(CCCCCC)OCC
InChIInChI=1S/C28H54O7/c1-9-15-17-19-21-23(31-11-3)25(33-13-5)27(29-7)35-28(30-8)26(34-14-6)24(32-12-4)22-20-18-16-10-2/h27-28H,9-22H2,1-8H3
InChIKeyCOIHJDOWZDPLFY-UHFFFAOYSA-N
XLogP7.46
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds24
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.73
LogP ≤ 57.46
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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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-diethoxy-1-methoxynon-2-enoxy)-2,3-diethoxy-1-methoxynon-2-ene?
The IUPAC name of 1-(2,3-diethoxy-1-methoxynon-2-enoxy)-2,3-diethoxy-1-methoxynon-2-ene (CID 175171360) is 1-(2,3-diethoxy-1-methoxynon-2-enoxy)-2,3-diethoxy-1-methoxynon-2-ene.
What is the SMILES notation for 1-(2,3-diethoxy-1-methoxynon-2-enoxy)-2,3-diethoxy-1-methoxynon-2-ene?
The canonical SMILES for 1-(2,3-diethoxy-1-methoxynon-2-enoxy)-2,3-diethoxy-1-methoxynon-2-ene is CCCCCCC(OCC)=C(OCC)C(OC)OC(OC)C(OCC)=C(CCCCCC)OCC.
What is the InChIKey of 1-(2,3-diethoxy-1-methoxynon-2-enoxy)-2,3-diethoxy-1-methoxynon-2-ene?
The InChIKey is COIHJDOWZDPLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H54O7/c1-9-15-17-19-21-23(31-11-3)25(33-13-5)27(29-7)35-28(30-8)26(34-14-6)24(32-12-4)22-20-18-16-10-2/h27-28H,9-22H2,1-8H3.
What are the key properties of 1-(2,3-diethoxy-1-methoxynon-2-enoxy)-2,3-diethoxy-1-methoxynon-2-ene?
1-(2,3-diethoxy-1-methoxynon-2-enoxy)-2,3-diethoxy-1-methoxynon-2-ene has a molecular weight of 502.73 g/mol, XLogP of 7.46, 24 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-methoxynon-2-enoxy)-2,3-diethoxy-1-methoxynon-2-ene is sourced from PubChem (CID 175171360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).