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

C25H36O2 — CID 144944458

IUPAC2-[[(3E,5E)-5-[(2E)-2-ethenylpenta-2,4-dienoxy]-2,7-dimethylnona-3,5-dien-4-yl]oxymethyl]cyclohexa-1,3-diene
SMILESC=C/C=C(\C=C)COC(=C/C(C)CC)/C(=C\C(C)C)OCC1=CCCC=C1
InChIInChI=1S/C25H36O2/c1-7-13-22(9-3)18-26-25(17-21(6)8-2)24(16-20(4)5)27-19-23-14-11-10-12-15-23/h7,9,11,13-17,20-21H,1,3,8,10,12,18-19H2,2,4-6H3/b22-13+,24-16+,25-17+
InChIKeyJWCWGEOHUWUGDP-HIKXFUELSA-N
MW368.56 g/mol
LogP7.06
Rot. Bonds12

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

2-[[(3E,5E)-5-[(2E)-2-ethenylpenta-2,4-dienoxy]-2,7-dimethylnona-3,5-dien-4-yl]oxymethyl]cyclohexa-1,3-diene (PubChem CID 144944458) has the molecular formula C25H36O2 and a molecular weight of 368.56 g/mol. Its IUPAC name is 2-[[(3E,5E)-5-[(2E)-2-ethenylpenta-2,4-dienoxy]-2,7-dimethylnona-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-dimethylnona-3,5-dien-4-yl]oxymethyl]cyclohexa-1,3-diene
PubChem CID144944458
Molecular FormulaC25H36O2
Molecular Weight368.56 g/mol
Exact Mass368.27
IUPAC Name2-[[(3E,5E)-5-[(2E)-2-ethenylpenta-2,4-dienoxy]-2,7-dimethylnona-3,5-dien-4-yl]oxymethyl]cyclohexa-1,3-diene
SMILESC=C/C=C(\C=C)COC(=C/C(C)CC)/C(=C\C(C)C)OCC1=CCCC=C1
InChIInChI=1S/C25H36O2/c1-7-13-22(9-3)18-26-25(17-21(6)8-2)24(16-20(4)5)27-19-23-14-11-10-12-15-23/h7,9,11,13-17,20-21H,1,3,8,10,12,18-19H2,2,4-6H3/b22-13+,24-16+,25-17+
InChIKeyJWCWGEOHUWUGDP-HIKXFUELSA-N
XLogP7.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.56
LogP ≤ 57.06
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3E,5E)-5-[(2E)-2-ethenylpenta-2,4-dienoxy]-2,7-dimethylnona-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-dimethylnona-3,5-dien-4-yl]oxymethyl]cyclohexa-1,3-diene (CID 144944458) is 2-[[(3E,5E)-5-[(2E)-2-ethenylpenta-2,4-dienoxy]-2,7-dimethylnona-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-dimethylnona-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-dimethylnona-3,5-dien-4-yl]oxymethyl]cyclohexa-1,3-diene is C=C/C=C(\C=C)COC(=C/C(C)CC)/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-dimethylnona-3,5-dien-4-yl]oxymethyl]cyclohexa-1,3-diene?
The InChIKey is JWCWGEOHUWUGDP-HIKXFUELSA-N. The full InChI is InChI=1S/C25H36O2/c1-7-13-22(9-3)18-26-25(17-21(6)8-2)24(16-20(4)5)27-19-23-14-11-10-12-15-23/h7,9,11,13-17,20-21H,1,3,8,10,12,18-19H2,2,4-6H3/b22-13+,24-16+,25-17+.
What are the key properties of 2-[[(3E,5E)-5-[(2E)-2-ethenylpenta-2,4-dienoxy]-2,7-dimethylnona-3,5-dien-4-yl]oxymethyl]cyclohexa-1,3-diene?
2-[[(3E,5E)-5-[(2E)-2-ethenylpenta-2,4-dienoxy]-2,7-dimethylnona-3,5-dien-4-yl]oxymethyl]cyclohexa-1,3-diene has a molecular weight of 368.56 g/mol, XLogP of 7.06, 12 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-dimethylnona-3,5-dien-4-yl]oxymethyl]cyclohexa-1,3-diene is sourced from PubChem (CID 144944458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).