ethane;[(5E,7Z)-7-ethenoxy-5-methyl-3-methylidenenona-5,7-dienyl]cyclohexane

C21H36O — CID 142231112

IUPACethane;[(5E,7Z)-7-ethenoxy-5-methyl-3-methylidenenona-5,7-dienyl]cyclohexane
SMILESC=COC(=C\C)/C=C(\C)CC(=C)CCC1CCCCC1.CC
InChIInChI=1S/C19H30O.C2H6/c1-5-19(20-6-2)15-17(4)14-16(3)12-13-18-10-8-7-9-11-18;1-2/h5-6,15,18H,2-3,7-14H2,1,4H3;1-2H3/b17-15+,19-5-;
InChIKeyZPIIVMXUKCAQNI-YFMSEWSSSA-N
MW304.52 g/mol
LogP7.33
Rot. Bonds8

About ethane;[(5E,7Z)-7-ethenoxy-5-methyl-3-methylidenenona-5,7-dienyl]cyclohexane

ethane;[(5E,7Z)-7-ethenoxy-5-methyl-3-methylidenenona-5,7-dienyl]cyclohexane (PubChem CID 142231112) has the molecular formula C21H36O and a molecular weight of 304.52 g/mol. Its IUPAC name is ethane;[(5E,7Z)-7-ethenoxy-5-methyl-3-methylidenenona-5,7-dienyl]cyclohexane.

Molecular Properties

Compound Nameethane;[(5E,7Z)-7-ethenoxy-5-methyl-3-methylidenenona-5,7-dienyl]cyclohexane
PubChem CID142231112
Molecular FormulaC21H36O
Molecular Weight304.52 g/mol
Exact Mass304.28
IUPAC Nameethane;[(5E,7Z)-7-ethenoxy-5-methyl-3-methylidenenona-5,7-dienyl]cyclohexane
SMILESC=COC(=C\C)/C=C(\C)CC(=C)CCC1CCCCC1.CC
InChIInChI=1S/C19H30O.C2H6/c1-5-19(20-6-2)15-17(4)14-16(3)12-13-18-10-8-7-9-11-18;1-2/h5-6,15,18H,2-3,7-14H2,1,4H3;1-2H3/b17-15+,19-5-;
InChIKeyZPIIVMXUKCAQNI-YFMSEWSSSA-N
XLogP7.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.52
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

Retinyl methyl ether
CID 6436634
2-(9-Methoxy-3,7-dimethylnona-1,3,5,7-tetraenyl)-1,3,3-trimethylcyclohexene
CID 92284
3-(4-ethenylcyclohexyl)-6-[(6Z,8E)-8-ethoxy-4-ethyl-6,7-difluorodeca-6,8-dienyl]-1,2-difluorocyclohexene
CID 88953178
(3E,11Z,15Z)-4,11,12-trifluoro-2-methoxy-6,9-dimethyl-5,10,13,14,17-pentamethylidenenonadeca-1,3,11,15-tetraene
CID 88953273
1-Fluoro-7-methyl-5-[3-methyl-4-(4-propylcyclohexyl)hepta-2,4-dienyl]-2-(trifluoromethoxy)cyclohepta-1,3,5-triene
CID 123947876
1-[(3E,5E,7E)-7-[(2E)-2-[(Z)-2,3-difluoro-1-propoxyprop-2-enylidene]cyclobutylidene]hepta-1,3,5-trien-3-yl]-4-methylcyclohexane
CID 126727501
(1Z,3E,5E,7E,9E)-11-butyl-10-ethenyl-3-ethoxy-1,2-difluoro-14-methylpentadeca-1,3,5,7,9-pentaene
CID 126727542
1-[(3Z,5E)-5-ethoxy-3,4-difluorohepta-1,3,5-trien-2-yl]-4-(4-propylcyclohexyl)cyclohexane
CID 134374981
4-(4-butylcyclohexyl)-1-[(2Z,4Z)-6-ethoxy-4,5-difluorohepta-2,4,6-trien-3-yl]cyclohexene
CID 138534900
2-Ethoxy-1,6-difluoro-5-[4-[2-(4-methylcyclohex-2-en-1-yl)ethyl]cyclohexa-1,5-dien-1-yl]cyclohexa-1,3-diene
CID 139334395
3-Fluoro-5-methoxy-2-[4-(4-pentylcyclohexyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene
CID 139457529
1-[(3Z,4E,8Z)-10-(difluoromethoxy)-3-ethylidene-5-fluoro-6,7-dimethylideneundeca-4,8,10-trienyl]-4-methylcyclohexane
CID 141898719

Frequently Asked Questions

What is the IUPAC name of ethane;[(5E,7Z)-7-ethenoxy-5-methyl-3-methylidenenona-5,7-dienyl]cyclohexane?
The IUPAC name of ethane;[(5E,7Z)-7-ethenoxy-5-methyl-3-methylidenenona-5,7-dienyl]cyclohexane (CID 142231112) is ethane;[(5E,7Z)-7-ethenoxy-5-methyl-3-methylidenenona-5,7-dienyl]cyclohexane.
What is the SMILES notation for ethane;[(5E,7Z)-7-ethenoxy-5-methyl-3-methylidenenona-5,7-dienyl]cyclohexane?
The canonical SMILES for ethane;[(5E,7Z)-7-ethenoxy-5-methyl-3-methylidenenona-5,7-dienyl]cyclohexane is C=COC(=C\C)/C=C(\C)CC(=C)CCC1CCCCC1.CC.
What is the InChIKey of ethane;[(5E,7Z)-7-ethenoxy-5-methyl-3-methylidenenona-5,7-dienyl]cyclohexane?
The InChIKey is ZPIIVMXUKCAQNI-YFMSEWSSSA-N. The full InChI is InChI=1S/C19H30O.C2H6/c1-5-19(20-6-2)15-17(4)14-16(3)12-13-18-10-8-7-9-11-18;1-2/h5-6,15,18H,2-3,7-14H2,1,4H3;1-2H3/b17-15+,19-5-;.
What are the key properties of ethane;[(5E,7Z)-7-ethenoxy-5-methyl-3-methylidenenona-5,7-dienyl]cyclohexane?
ethane;[(5E,7Z)-7-ethenoxy-5-methyl-3-methylidenenona-5,7-dienyl]cyclohexane has a molecular weight of 304.52 g/mol, XLogP of 7.33, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[(5E,7Z)-7-ethenoxy-5-methyl-3-methylidenenona-5,7-dienyl]cyclohexane is sourced from PubChem (CID 142231112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).