3-ethoxy-8-hept-6-enoxy-7-methylnon-1-ene

C19H36O2 — CID 90710615

IUPAC3-ethoxy-8-hept-6-enoxy-7-methylnon-1-ene
SMILESC=CCCCCCOC(C)C(C)CCCC(C=C)OCC
InChIInChI=1S/C19H36O2/c1-6-9-10-11-12-16-21-18(5)17(4)14-13-15-19(7-2)20-8-3/h6-7,17-19H,1-2,8-16H2,3-5H3
InChIKeyAZEFJSBWCMKHEF-UHFFFAOYSA-N
MW296.49 g/mol
LogP5.54
Rot. Bonds15

About 3-ethoxy-8-hept-6-enoxy-7-methylnon-1-ene

3-ethoxy-8-hept-6-enoxy-7-methylnon-1-ene (PubChem CID 90710615) has the molecular formula C19H36O2 and a molecular weight of 296.49 g/mol. Its IUPAC name is 3-ethoxy-8-hept-6-enoxy-7-methylnon-1-ene.

Molecular Properties

Compound Name3-ethoxy-8-hept-6-enoxy-7-methylnon-1-ene
PubChem CID90710615
Molecular FormulaC19H36O2
Molecular Weight296.49 g/mol
Exact Mass296.27
IUPAC Name3-ethoxy-8-hept-6-enoxy-7-methylnon-1-ene
SMILESC=CCCCCCOC(C)C(C)CCCC(C=C)OCC
InChIInChI=1S/C19H36O2/c1-6-9-10-11-12-16-21-18(5)17(4)14-13-15-19(7-2)20-8-3/h6-7,17-19H,1-2,8-16H2,3-5H3
InChIKeyAZEFJSBWCMKHEF-UHFFFAOYSA-N
XLogP5.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.49
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-8-hept-6-enoxy-7-methylnon-1-ene?
The IUPAC name of 3-ethoxy-8-hept-6-enoxy-7-methylnon-1-ene (CID 90710615) is 3-ethoxy-8-hept-6-enoxy-7-methylnon-1-ene.
What is the SMILES notation for 3-ethoxy-8-hept-6-enoxy-7-methylnon-1-ene?
The canonical SMILES for 3-ethoxy-8-hept-6-enoxy-7-methylnon-1-ene is C=CCCCCCOC(C)C(C)CCCC(C=C)OCC.
What is the InChIKey of 3-ethoxy-8-hept-6-enoxy-7-methylnon-1-ene?
The InChIKey is AZEFJSBWCMKHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O2/c1-6-9-10-11-12-16-21-18(5)17(4)14-13-15-19(7-2)20-8-3/h6-7,17-19H,1-2,8-16H2,3-5H3.
What are the key properties of 3-ethoxy-8-hept-6-enoxy-7-methylnon-1-ene?
3-ethoxy-8-hept-6-enoxy-7-methylnon-1-ene has a molecular weight of 296.49 g/mol, XLogP of 5.54, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-8-hept-6-enoxy-7-methylnon-1-ene is sourced from PubChem (CID 90710615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).