3-Ethyl-2-(3-ethyloct-1-en-2-yloxy)oct-1-ene

C20H38O — CID 87284908

IUPAC3-ethyl-2-(3-ethyloct-1-en-2-yloxy)oct-1-ene
SMILESCCCCCC(CC)C(=C)OC(=C)C(CC)CCCCC
InChIInChI=1S/C20H38O/c1-7-11-13-15-19(9-3)17(5)21-18(6)20(10-4)16-14-12-8-2/h19-20H,5-16H2,1-4H3
InChIKeyAYQQTJRPYHKABW-UHFFFAOYSA-N
MW294.50 g/mol
LogP8.30
Rot. Bonds14

About 3-Ethyl-2-(3-ethyloct-1-en-2-yloxy)oct-1-ene

3-Ethyl-2-(3-ethyloct-1-en-2-yloxy)oct-1-ene (PubChem CID 87284908) has the molecular formula C20H38O and a molecular weight of 294.50 g/mol. Its IUPAC name is 3-ethyl-2-(3-ethyloct-1-en-2-yloxy)oct-1-ene.

Molecular Properties

Compound Name3-Ethyl-2-(3-ethyloct-1-en-2-yloxy)oct-1-ene
PubChem CID87284908
Molecular FormulaC20H38O
Molecular Weight294.50 g/mol
Exact Mass294.29
IUPAC Name3-ethyl-2-(3-ethyloct-1-en-2-yloxy)oct-1-ene
SMILESCCCCCC(CC)C(=C)OC(=C)C(CC)CCCCC
InChIInChI=1S/C20H38O/c1-7-11-13-15-19(9-3)17(5)21-18(6)20(10-4)16-14-12-8-2/h19-20H,5-16H2,1-4H3
InChIKeyAYQQTJRPYHKABW-UHFFFAOYSA-N
XLogP8.30
TPSA9.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms21
Complexity252

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.50
LogP ≤ 58.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,7,11,15-Tetramethylhexadec-1-en-2-ol
CID 85531716
trans-3-Hexyl-2-methylene-4-tridecyloxetane
CID 86289021
6-Fluoro-3,4,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]dec-1-ene
CID 174318861
7-Ethenyl-1-[(2-methylpropan-2-yl)oxy]decane
CID 14622045
2-Non-1-en-2-yloxynon-1-ene
CID 17805539
11-Ethoxy-8-propylundec-1-ene
CID 17825249
1-Octadecoxyethenylcyclohexane
CID 17888800
16-Methyl-2-(16-methylheptadec-1-en-2-yloxy)heptadec-1-ene
CID 18517299
2-Tridec-1-en-2-yloxytridec-1-ene
CID 19091118
3-[2-(3-Ethenyl-2-methylundecan-2-yl)oxypropan-2-yl]undec-1-ene
CID 19429088
3-Methyl-2-(3-methylicos-1-en-2-yloxy)icos-1-ene
CID 21453039
3-Ethyl-2-(3-ethyloctadec-1-en-2-yloxy)octadec-1-ene
CID 21453040

Frequently Asked Questions

What is the IUPAC name of 3-Ethyl-2-(3-ethyloct-1-en-2-yloxy)oct-1-ene?
The IUPAC name of 3-Ethyl-2-(3-ethyloct-1-en-2-yloxy)oct-1-ene (CID 87284908) is 3-ethyl-2-(3-ethyloct-1-en-2-yloxy)oct-1-ene.
What is the SMILES notation for 3-Ethyl-2-(3-ethyloct-1-en-2-yloxy)oct-1-ene?
The canonical SMILES for 3-Ethyl-2-(3-ethyloct-1-en-2-yloxy)oct-1-ene is CCCCCC(CC)C(=C)OC(=C)C(CC)CCCCC.
What is the InChIKey of 3-Ethyl-2-(3-ethyloct-1-en-2-yloxy)oct-1-ene?
The InChIKey is AYQQTJRPYHKABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O/c1-7-11-13-15-19(9-3)17(5)21-18(6)20(10-4)16-14-12-8-2/h19-20H,5-16H2,1-4H3.
What are the key properties of 3-Ethyl-2-(3-ethyloct-1-en-2-yloxy)oct-1-ene?
3-Ethyl-2-(3-ethyloct-1-en-2-yloxy)oct-1-ene has a molecular weight of 294.50 g/mol, XLogP of 8.30, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-Ethyl-2-(3-ethyloct-1-en-2-yloxy)oct-1-ene is sourced from PubChem (CID 87284908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).