1-[(4Z)-6-ethoxy-4,5-difluoro-3-methylidenehepta-4,6-dienyl]-4-(4-methylcyclohexyl)cyclohexane

C23H36F2O — CID 143243698

IUPAC1-[(4Z)-6-ethoxy-4,5-difluoro-3-methylidenehepta-4,6-dienyl]-4-(4-methylcyclohexyl)cyclohexane
SMILESC=C(CCC1CCC(C2CCC(C)CC2)CC1)/C(F)=C(/F)C(=C)OCC
InChIInChI=1S/C23H36F2O/c1-5-26-18(4)23(25)22(24)17(3)8-9-19-10-14-21(15-11-19)20-12-6-16(2)7-13-20/h16,19-21H,3-15H2,1-2H3/b23-22-
InChIKeyIKNMLRLKYWAODO-FCQUAONHSA-N
MW366.54 g/mol
LogP7.66
Rot. Bonds8

About 1-[(4Z)-6-ethoxy-4,5-difluoro-3-methylidenehepta-4,6-dienyl]-4-(4-methylcyclohexyl)cyclohexane

1-[(4Z)-6-ethoxy-4,5-difluoro-3-methylidenehepta-4,6-dienyl]-4-(4-methylcyclohexyl)cyclohexane (PubChem CID 143243698) has the molecular formula C23H36F2O and a molecular weight of 366.54 g/mol. Its IUPAC name is 1-[(4Z)-6-ethoxy-4,5-difluoro-3-methylidenehepta-4,6-dienyl]-4-(4-methylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-[(4Z)-6-ethoxy-4,5-difluoro-3-methylidenehepta-4,6-dienyl]-4-(4-methylcyclohexyl)cyclohexane
PubChem CID143243698
Molecular FormulaC23H36F2O
Molecular Weight366.54 g/mol
Exact Mass366.27
IUPAC Name1-[(4Z)-6-ethoxy-4,5-difluoro-3-methylidenehepta-4,6-dienyl]-4-(4-methylcyclohexyl)cyclohexane
SMILESC=C(CCC1CCC(C2CCC(C)CC2)CC1)/C(F)=C(/F)C(=C)OCC
InChIInChI=1S/C23H36F2O/c1-5-26-18(4)23(25)22(24)17(3)8-9-19-10-14-21(15-11-19)20-12-6-16(2)7-13-20/h16,19-21H,3-15H2,1-2H3/b23-22-
InChIKeyIKNMLRLKYWAODO-FCQUAONHSA-N
XLogP7.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.54
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-Propylcyclohexyl)-5-(2,2,2-trifluoroethoxy)cyclohexa-1,3-diene
CID 53788398
2-(4-Ethylcyclohexyl)-5-(2,2,2-trifluoroethoxy)cyclohexa-1,3-diene
CID 56611013
2-(4-Pentylcyclohexyl)-5-(2,2,2-trifluoroethoxy)cyclohexa-1,3-diene
CID 56611649
2-(4-Heptylcyclohexyl)-5-(2,2,2-trifluoroethoxy)cyclohexa-1,3-diene
CID 56612566
2-(4-Octylcyclohexyl)-5-(1,1,2,2,3-pentafluoropropoxy)cyclohexa-1,3-diene
CID 56622213
2-(4-Octylcyclohexyl)-5-(2,2,2-trifluoroethoxy)cyclohexa-1,3-diene
CID 56624612
2-(4-Hexylcyclohexyl)-5-(2,2,2-trifluoroethoxy)cyclohexa-1,3-diene
CID 56631371
2-(4-Heptylcyclohexyl)-5-(1,1,2,2,3-pentafluoropropoxy)cyclohexa-1,3-diene
CID 56637728
2-(4-Butylcyclohexyl)-5-(2,2,2-trifluoroethoxy)cyclohexa-1,3-diene
CID 56638393
5-(4-Ethenylcyclohexyl)-1,6-difluoro-2-methoxycyclohexa-1,3-diene
CID 66612983
2-[4-(4-Ethylcyclohexyl)cyclohexyl]-5-(2,2,2-trifluoroethoxy)cyclohexa-1,3-diene
CID 67865238
2-[4-(4-Pentylcyclohexyl)cyclohexyl]-5-(2,2,2-trifluoroethoxy)cyclohexa-1,3-diene
CID 67865413

Frequently Asked Questions

What is the IUPAC name of 1-[(4Z)-6-ethoxy-4,5-difluoro-3-methylidenehepta-4,6-dienyl]-4-(4-methylcyclohexyl)cyclohexane?
The IUPAC name of 1-[(4Z)-6-ethoxy-4,5-difluoro-3-methylidenehepta-4,6-dienyl]-4-(4-methylcyclohexyl)cyclohexane (CID 143243698) is 1-[(4Z)-6-ethoxy-4,5-difluoro-3-methylidenehepta-4,6-dienyl]-4-(4-methylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-[(4Z)-6-ethoxy-4,5-difluoro-3-methylidenehepta-4,6-dienyl]-4-(4-methylcyclohexyl)cyclohexane?
The canonical SMILES for 1-[(4Z)-6-ethoxy-4,5-difluoro-3-methylidenehepta-4,6-dienyl]-4-(4-methylcyclohexyl)cyclohexane is C=C(CCC1CCC(C2CCC(C)CC2)CC1)/C(F)=C(/F)C(=C)OCC.
What is the InChIKey of 1-[(4Z)-6-ethoxy-4,5-difluoro-3-methylidenehepta-4,6-dienyl]-4-(4-methylcyclohexyl)cyclohexane?
The InChIKey is IKNMLRLKYWAODO-FCQUAONHSA-N. The full InChI is InChI=1S/C23H36F2O/c1-5-26-18(4)23(25)22(24)17(3)8-9-19-10-14-21(15-11-19)20-12-6-16(2)7-13-20/h16,19-21H,3-15H2,1-2H3/b23-22-.
What are the key properties of 1-[(4Z)-6-ethoxy-4,5-difluoro-3-methylidenehepta-4,6-dienyl]-4-(4-methylcyclohexyl)cyclohexane?
1-[(4Z)-6-ethoxy-4,5-difluoro-3-methylidenehepta-4,6-dienyl]-4-(4-methylcyclohexyl)cyclohexane has a molecular weight of 366.54 g/mol, XLogP of 7.66, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4Z)-6-ethoxy-4,5-difluoro-3-methylidenehepta-4,6-dienyl]-4-(4-methylcyclohexyl)cyclohexane is sourced from PubChem (CID 143243698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).