3-(2-ethylidenehexa-3,5-dienoxy)-7,7,8-trimethylnon-4-ene

C20H34O — CID 91334483

IUPAC3-(2-ethylidenehexa-3,5-dienoxy)-7,7,8-trimethylnon-4-ene
SMILESC=CC=CC(=CC)COC(C=CCC(C)(C)C(C)C)CC
InChIInChI=1S/C20H34O/c1-8-11-13-18(9-2)16-21-19(10-3)14-12-15-20(6,7)17(4)5/h8-9,11-14,17,19H,1,10,15-16H2,2-7H3
InChIKeyVNZGGLKMDXBEDF-UHFFFAOYSA-N
MW290.49 g/mol
LogP6.10
Rot. Bonds10

About 3-(2-ethylidenehexa-3,5-dienoxy)-7,7,8-trimethylnon-4-ene

3-(2-ethylidenehexa-3,5-dienoxy)-7,7,8-trimethylnon-4-ene (PubChem CID 91334483) has the molecular formula C20H34O and a molecular weight of 290.49 g/mol. Its IUPAC name is 3-(2-ethylidenehexa-3,5-dienoxy)-7,7,8-trimethylnon-4-ene.

Molecular Properties

Compound Name3-(2-ethylidenehexa-3,5-dienoxy)-7,7,8-trimethylnon-4-ene
PubChem CID91334483
Molecular FormulaC20H34O
Molecular Weight290.49 g/mol
Exact Mass290.26
IUPAC Name3-(2-ethylidenehexa-3,5-dienoxy)-7,7,8-trimethylnon-4-ene
SMILESC=CC=CC(=CC)COC(C=CCC(C)(C)C(C)C)CC
InChIInChI=1S/C20H34O/c1-8-11-13-18(9-2)16-21-19(10-3)14-12-15-20(6,7)17(4)5/h8-9,11-14,17,19H,1,10,15-16H2,2-7H3
InChIKeyVNZGGLKMDXBEDF-UHFFFAOYSA-N
XLogP6.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.49
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylidenehexa-3,5-dienoxy)-7,7,8-trimethylnon-4-ene?
The IUPAC name of 3-(2-ethylidenehexa-3,5-dienoxy)-7,7,8-trimethylnon-4-ene (CID 91334483) is 3-(2-ethylidenehexa-3,5-dienoxy)-7,7,8-trimethylnon-4-ene.
What is the SMILES notation for 3-(2-ethylidenehexa-3,5-dienoxy)-7,7,8-trimethylnon-4-ene?
The canonical SMILES for 3-(2-ethylidenehexa-3,5-dienoxy)-7,7,8-trimethylnon-4-ene is C=CC=CC(=CC)COC(C=CCC(C)(C)C(C)C)CC.
What is the InChIKey of 3-(2-ethylidenehexa-3,5-dienoxy)-7,7,8-trimethylnon-4-ene?
The InChIKey is VNZGGLKMDXBEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O/c1-8-11-13-18(9-2)16-21-19(10-3)14-12-15-20(6,7)17(4)5/h8-9,11-14,17,19H,1,10,15-16H2,2-7H3.
What are the key properties of 3-(2-ethylidenehexa-3,5-dienoxy)-7,7,8-trimethylnon-4-ene?
3-(2-ethylidenehexa-3,5-dienoxy)-7,7,8-trimethylnon-4-ene has a molecular weight of 290.49 g/mol, XLogP of 6.10, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylidenehexa-3,5-dienoxy)-7,7,8-trimethylnon-4-ene is sourced from PubChem (CID 91334483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).