1,1,3-triethoxyundec-4-ene

C17H34O3 — CID 71440114

IUPAC1,1,3-triethoxyundec-4-ene
SMILESCCCCCCC=CC(CC(OCC)OCC)OCC
InChIInChI=1S/C17H34O3/c1-5-9-10-11-12-13-14-16(18-6-2)15-17(19-7-3)20-8-4/h13-14,16-17H,5-12,15H2,1-4H3
InChIKeyNXYOWUFBHVQRNC-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.71
Rot. Bonds14

About 1,1,3-triethoxyundec-4-ene

1,1,3-triethoxyundec-4-ene (PubChem CID 71440114) has the molecular formula C17H34O3 and a molecular weight of 286.46 g/mol. Its IUPAC name is 1,1,3-triethoxyundec-4-ene.

Molecular Properties

Compound Name1,1,3-triethoxyundec-4-ene
PubChem CID71440114
Molecular FormulaC17H34O3
Molecular Weight286.46 g/mol
Exact Mass286.25
IUPAC Name1,1,3-triethoxyundec-4-ene
SMILESCCCCCCC=CC(CC(OCC)OCC)OCC
InChIInChI=1S/C17H34O3/c1-5-9-10-11-12-13-14-16(18-6-2)15-17(19-7-3)20-8-4/h13-14,16-17H,5-12,15H2,1-4H3
InChIKeyNXYOWUFBHVQRNC-UHFFFAOYSA-N
XLogP4.71
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,3-triethoxyundec-4-ene?
The IUPAC name of 1,1,3-triethoxyundec-4-ene (CID 71440114) is 1,1,3-triethoxyundec-4-ene.
What is the SMILES notation for 1,1,3-triethoxyundec-4-ene?
The canonical SMILES for 1,1,3-triethoxyundec-4-ene is CCCCCCC=CC(CC(OCC)OCC)OCC.
What is the InChIKey of 1,1,3-triethoxyundec-4-ene?
The InChIKey is NXYOWUFBHVQRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O3/c1-5-9-10-11-12-13-14-16(18-6-2)15-17(19-7-3)20-8-4/h13-14,16-17H,5-12,15H2,1-4H3.
What are the key properties of 1,1,3-triethoxyundec-4-ene?
1,1,3-triethoxyundec-4-ene has a molecular weight of 286.46 g/mol, XLogP of 4.71, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-triethoxyundec-4-ene is sourced from PubChem (CID 71440114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).