2-[[(3E,5E)-5-[(2E)-2-ethenylpenta-2,4-dienoxy]-2,7-dimethylocta-3,5-dien-4-yl]oxymethyl]cyclohexa-1,3-diene

C24H34O2 — CID 144926359

IUPAC2-[[(3E,5E)-5-[(2E)-2-ethenylpenta-2,4-dienoxy]-2,7-dimethylocta-3,5-dien-4-yl]oxymethyl]cyclohexa-1,3-diene
SMILESC=C/C=C(\C=C)COC(=C/C(C)C)/C(=C\C(C)C)OCC1=CCCC=C1
InChIInChI=1S/C24H34O2/c1-7-12-21(8-2)17-25-23(15-19(3)4)24(16-20(5)6)26-18-22-13-10-9-11-14-22/h7-8,10,12-16,19-20H,1-2,9,11,17-18H2,3-6H3/b21-12+,23-15+,24-16+
InChIKeyUUNZXVLICPDWIR-KXHYNRPXSA-N
MW354.53 g/mol
LogP6.67
Rot. Bonds11

About 2-[[(3E,5E)-5-[(2E)-2-ethenylpenta-2,4-dienoxy]-2,7-dimethylocta-3,5-dien-4-yl]oxymethyl]cyclohexa-1,3-diene

2-[[(3E,5E)-5-[(2E)-2-ethenylpenta-2,4-dienoxy]-2,7-dimethylocta-3,5-dien-4-yl]oxymethyl]cyclohexa-1,3-diene (PubChem CID 144926359) has the molecular formula C24H34O2 and a molecular weight of 354.53 g/mol. Its IUPAC name is 2-[[(3E,5E)-5-[(2E)-2-ethenylpenta-2,4-dienoxy]-2,7-dimethylocta-3,5-dien-4-yl]oxymethyl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name2-[[(3E,5E)-5-[(2E)-2-ethenylpenta-2,4-dienoxy]-2,7-dimethylocta-3,5-dien-4-yl]oxymethyl]cyclohexa-1,3-diene
PubChem CID144926359
Molecular FormulaC24H34O2
Molecular Weight354.53 g/mol
Exact Mass354.26
IUPAC Name2-[[(3E,5E)-5-[(2E)-2-ethenylpenta-2,4-dienoxy]-2,7-dimethylocta-3,5-dien-4-yl]oxymethyl]cyclohexa-1,3-diene
SMILESC=C/C=C(\C=C)COC(=C/C(C)C)/C(=C\C(C)C)OCC1=CCCC=C1
InChIInChI=1S/C24H34O2/c1-7-12-21(8-2)17-25-23(15-19(3)4)24(16-20(5)6)26-18-22-13-10-9-11-14-22/h7-8,10,12-16,19-20H,1-2,9,11,17-18H2,3-6H3/b21-12+,23-15+,24-16+
InChIKeyUUNZXVLICPDWIR-KXHYNRPXSA-N
XLogP6.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.53
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[[(3E,5E)-5-[(2E)-2-ethenylpenta-2,4-dienoxy]-2,7-dimethylocta-3,5-dien-4-yl]oxymethyl]cyclohexa-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[(3E,5E)-5-[(2E)-2-ethenylpenta-2,4-dienoxy]-2,7-dimethylocta-3,5-dien-4-yl]oxymethyl]cyclohexa-1,3-diene?
The IUPAC name of 2-[[(3E,5E)-5-[(2E)-2-ethenylpenta-2,4-dienoxy]-2,7-dimethylocta-3,5-dien-4-yl]oxymethyl]cyclohexa-1,3-diene (CID 144926359) is 2-[[(3E,5E)-5-[(2E)-2-ethenylpenta-2,4-dienoxy]-2,7-dimethylocta-3,5-dien-4-yl]oxymethyl]cyclohexa-1,3-diene.
What is the SMILES notation for 2-[[(3E,5E)-5-[(2E)-2-ethenylpenta-2,4-dienoxy]-2,7-dimethylocta-3,5-dien-4-yl]oxymethyl]cyclohexa-1,3-diene?
The canonical SMILES for 2-[[(3E,5E)-5-[(2E)-2-ethenylpenta-2,4-dienoxy]-2,7-dimethylocta-3,5-dien-4-yl]oxymethyl]cyclohexa-1,3-diene is C=C/C=C(\C=C)COC(=C/C(C)C)/C(=C\C(C)C)OCC1=CCCC=C1.
What is the InChIKey of 2-[[(3E,5E)-5-[(2E)-2-ethenylpenta-2,4-dienoxy]-2,7-dimethylocta-3,5-dien-4-yl]oxymethyl]cyclohexa-1,3-diene?
The InChIKey is UUNZXVLICPDWIR-KXHYNRPXSA-N. The full InChI is InChI=1S/C24H34O2/c1-7-12-21(8-2)17-25-23(15-19(3)4)24(16-20(5)6)26-18-22-13-10-9-11-14-22/h7-8,10,12-16,19-20H,1-2,9,11,17-18H2,3-6H3/b21-12+,23-15+,24-16+.
What are the key properties of 2-[[(3E,5E)-5-[(2E)-2-ethenylpenta-2,4-dienoxy]-2,7-dimethylocta-3,5-dien-4-yl]oxymethyl]cyclohexa-1,3-diene?
2-[[(3E,5E)-5-[(2E)-2-ethenylpenta-2,4-dienoxy]-2,7-dimethylocta-3,5-dien-4-yl]oxymethyl]cyclohexa-1,3-diene has a molecular weight of 354.53 g/mol, XLogP of 6.67, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3E,5E)-5-[(2E)-2-ethenylpenta-2,4-dienoxy]-2,7-dimethylocta-3,5-dien-4-yl]oxymethyl]cyclohexa-1,3-diene is sourced from PubChem (CID 144926359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).