(E,5E)-1-[(4Z)-6-(difluoromethyl)hepta-4,6-dienoxy]-5-(2-methylprop-2-enylidene)non-1-ene

C21H32F2O — CID 131992740

IUPAC(E,5E)-1-[(4Z)-6-(difluoromethyl)hepta-4,6-dienoxy]-5-(2-methylprop-2-enylidene)non-1-ene
SMILESC=C(C)/C=C(/CC/C=C/OCCC/C=C\C(=C)C(F)F)CCCC
InChIInChI=1S/C21H32F2O/c1-5-6-13-20(17-18(2)3)14-9-11-16-24-15-10-7-8-12-19(4)21(22)23/h8,11-12,16-17,21H,2,4-7,9-10,13-15H2,1,3H3/b12-8-,16-11+,20-17+
InChIKeyKFFHENGCJUMZGK-CZCZGZKKSA-N
MW338.48 g/mol
LogP7.15
Rot. Bonds14

About (E,5E)-1-[(4Z)-6-(difluoromethyl)hepta-4,6-dienoxy]-5-(2-methylprop-2-enylidene)non-1-ene

(E,5E)-1-[(4Z)-6-(difluoromethyl)hepta-4,6-dienoxy]-5-(2-methylprop-2-enylidene)non-1-ene (PubChem CID 131992740) has the molecular formula C21H32F2O and a molecular weight of 338.48 g/mol. Its IUPAC name is (E,5E)-1-[(4Z)-6-(difluoromethyl)hepta-4,6-dienoxy]-5-(2-methylprop-2-enylidene)non-1-ene.

Molecular Properties

Compound Name(E,5E)-1-[(4Z)-6-(difluoromethyl)hepta-4,6-dienoxy]-5-(2-methylprop-2-enylidene)non-1-ene
PubChem CID131992740
Molecular FormulaC21H32F2O
Molecular Weight338.48 g/mol
Exact Mass338.24
IUPAC Name(E,5E)-1-[(4Z)-6-(difluoromethyl)hepta-4,6-dienoxy]-5-(2-methylprop-2-enylidene)non-1-ene
SMILESC=C(C)/C=C(/CC/C=C/OCCC/C=C\C(=C)C(F)F)CCCC
InChIInChI=1S/C21H32F2O/c1-5-6-13-20(17-18(2)3)14-9-11-16-24-15-10-7-8-12-19(4)21(22)23/h8,11-12,16-17,21H,2,4-7,9-10,13-15H2,1,3H3/b12-8-,16-11+,20-17+
InChIKeyKFFHENGCJUMZGK-CZCZGZKKSA-N
XLogP7.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.48
LogP ≤ 57.15
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (E,5E)-1-[(4Z)-6-(difluoromethyl)hepta-4,6-dienoxy]-5-(2-methylprop-2-enylidene)non-1-ene 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 (E,5E)-1-[(4Z)-6-(difluoromethyl)hepta-4,6-dienoxy]-5-(2-methylprop-2-enylidene)non-1-ene?
The IUPAC name of (E,5E)-1-[(4Z)-6-(difluoromethyl)hepta-4,6-dienoxy]-5-(2-methylprop-2-enylidene)non-1-ene (CID 131992740) is (E,5E)-1-[(4Z)-6-(difluoromethyl)hepta-4,6-dienoxy]-5-(2-methylprop-2-enylidene)non-1-ene.
What is the SMILES notation for (E,5E)-1-[(4Z)-6-(difluoromethyl)hepta-4,6-dienoxy]-5-(2-methylprop-2-enylidene)non-1-ene?
The canonical SMILES for (E,5E)-1-[(4Z)-6-(difluoromethyl)hepta-4,6-dienoxy]-5-(2-methylprop-2-enylidene)non-1-ene is C=C(C)/C=C(/CC/C=C/OCCC/C=C\C(=C)C(F)F)CCCC.
What is the InChIKey of (E,5E)-1-[(4Z)-6-(difluoromethyl)hepta-4,6-dienoxy]-5-(2-methylprop-2-enylidene)non-1-ene?
The InChIKey is KFFHENGCJUMZGK-CZCZGZKKSA-N. The full InChI is InChI=1S/C21H32F2O/c1-5-6-13-20(17-18(2)3)14-9-11-16-24-15-10-7-8-12-19(4)21(22)23/h8,11-12,16-17,21H,2,4-7,9-10,13-15H2,1,3H3/b12-8-,16-11+,20-17+.
What are the key properties of (E,5E)-1-[(4Z)-6-(difluoromethyl)hepta-4,6-dienoxy]-5-(2-methylprop-2-enylidene)non-1-ene?
(E,5E)-1-[(4Z)-6-(difluoromethyl)hepta-4,6-dienoxy]-5-(2-methylprop-2-enylidene)non-1-ene has a molecular weight of 338.48 g/mol, XLogP of 7.15, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5E)-1-[(4Z)-6-(difluoromethyl)hepta-4,6-dienoxy]-5-(2-methylprop-2-enylidene)non-1-ene is sourced from PubChem (CID 131992740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).