2-ethyl-5-[[(6Z,8Z)-6-ethyl-7,8-difluoro-9-methoxy-5-methyldeca-6,8-dien-2-yl]oxymethyl]oxane

C22H38F2O3 — CID 143889513

IUPAC2-ethyl-5-[[(6Z,8Z)-6-ethyl-7,8-difluoro-9-methoxy-5-methyldeca-6,8-dien-2-yl]oxymethyl]oxane
SMILESCC/C(=C(F)\C(F)=C(/C)OC)C(C)CCC(C)OCC1CCC(CC)OC1
InChIInChI=1S/C22H38F2O3/c1-7-19-12-11-18(14-27-19)13-26-16(4)10-9-15(3)20(8-2)22(24)21(23)17(5)25-6/h15-16,18-19H,7-14H2,1-6H3/b21-17-,22-20-
InChIKeyKEMWYMWICWDLFF-VXTJRRPDSA-N
MW388.54 g/mol
LogP6.49
Rot. Bonds11

About 2-ethyl-5-[[(6Z,8Z)-6-ethyl-7,8-difluoro-9-methoxy-5-methyldeca-6,8-dien-2-yl]oxymethyl]oxane

2-ethyl-5-[[(6Z,8Z)-6-ethyl-7,8-difluoro-9-methoxy-5-methyldeca-6,8-dien-2-yl]oxymethyl]oxane (PubChem CID 143889513) has the molecular formula C22H38F2O3 and a molecular weight of 388.54 g/mol. Its IUPAC name is 2-ethyl-5-[[(6Z,8Z)-6-ethyl-7,8-difluoro-9-methoxy-5-methyldeca-6,8-dien-2-yl]oxymethyl]oxane.

Molecular Properties

Compound Name2-ethyl-5-[[(6Z,8Z)-6-ethyl-7,8-difluoro-9-methoxy-5-methyldeca-6,8-dien-2-yl]oxymethyl]oxane
PubChem CID143889513
Molecular FormulaC22H38F2O3
Molecular Weight388.54 g/mol
Exact Mass388.28
IUPAC Name2-ethyl-5-[[(6Z,8Z)-6-ethyl-7,8-difluoro-9-methoxy-5-methyldeca-6,8-dien-2-yl]oxymethyl]oxane
SMILESCC/C(=C(F)\C(F)=C(/C)OC)C(C)CCC(C)OCC1CCC(CC)OC1
InChIInChI=1S/C22H38F2O3/c1-7-19-12-11-18(14-27-19)13-26-16(4)10-9-15(3)20(8-2)22(24)21(23)17(5)25-6/h15-16,18-19H,7-14H2,1-6H3/b21-17-,22-20-
InChIKeyKEMWYMWICWDLFF-VXTJRRPDSA-N
XLogP6.49
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.54
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

5-[[4-(4-Butoxy-2,3-difluorocyclohexa-1,3-dien-1-yl)cyclohexyl]oxymethyl]-2-propyloxane
CID 117749921
2-Butyl-5-[[4-(2,3-difluoro-6-methyl-4-propoxycyclohexa-1,3-dien-1-yl)cyclohexyl]oxymethyl]oxane
CID 117749948
5-[(4-Ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)oxy-difluoromethyl]-2-propyloxane
CID 121476212
5-[(4-Ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)oxymethyl]-2-propyloxane
CID 121476216
5-[[(3Z,5Z)-4,5-difluoro-6-methoxyhepta-3,5-dien-3-yl]oxymethyl]-2-(4-ethylcyclohexyl)oxane
CID 143889232
5-[[(6Z,8Z)-6-ethyl-7,8-difluoro-9-methoxy-5-methyldeca-6,8-dien-2-yl]oxymethyl]-2-propyloxane
CID 143889241
2-Butyl-5-[[4-(2,3-difluoro-4-methoxycyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]oxymethyl]oxane
CID 143889254
2-[5-(2,3-Difluoro-4-methoxycyclohexa-1,3-dien-1-yl)hexan-2-yloxymethyl]-5-pentyloxane
CID 143889260
2-ethenyl-5-[[(6Z,8Z)-6-ethyl-7,8-difluoro-9-methoxy-5-methyldeca-6,8-dien-2-yl]oxymethyl]oxane
CID 143889269
2-butyl-5-[[4-[(3Z,5Z)-4,5-difluoro-6-methoxyhepta-3,5-dien-3-yl]cyclohexa-1,3-dien-1-yl]oxymethyl]oxane
CID 143889272
2-[5-(2,3-Difluoro-4-methoxycyclohexa-1,3-dien-1-yl)hexan-2-yloxymethyl]-5-propyloxane
CID 143889283
5-[(2,3-Difluoro-4-methoxycyclohexa-1,3-dien-1-yl)oxymethyl]-2-(4-pentylcyclohexyl)oxane
CID 143889289

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[[(6Z,8Z)-6-ethyl-7,8-difluoro-9-methoxy-5-methyldeca-6,8-dien-2-yl]oxymethyl]oxane?
The IUPAC name of 2-ethyl-5-[[(6Z,8Z)-6-ethyl-7,8-difluoro-9-methoxy-5-methyldeca-6,8-dien-2-yl]oxymethyl]oxane (CID 143889513) is 2-ethyl-5-[[(6Z,8Z)-6-ethyl-7,8-difluoro-9-methoxy-5-methyldeca-6,8-dien-2-yl]oxymethyl]oxane.
What is the SMILES notation for 2-ethyl-5-[[(6Z,8Z)-6-ethyl-7,8-difluoro-9-methoxy-5-methyldeca-6,8-dien-2-yl]oxymethyl]oxane?
The canonical SMILES for 2-ethyl-5-[[(6Z,8Z)-6-ethyl-7,8-difluoro-9-methoxy-5-methyldeca-6,8-dien-2-yl]oxymethyl]oxane is CC/C(=C(F)\C(F)=C(/C)OC)C(C)CCC(C)OCC1CCC(CC)OC1.
What is the InChIKey of 2-ethyl-5-[[(6Z,8Z)-6-ethyl-7,8-difluoro-9-methoxy-5-methyldeca-6,8-dien-2-yl]oxymethyl]oxane?
The InChIKey is KEMWYMWICWDLFF-VXTJRRPDSA-N. The full InChI is InChI=1S/C22H38F2O3/c1-7-19-12-11-18(14-27-19)13-26-16(4)10-9-15(3)20(8-2)22(24)21(23)17(5)25-6/h15-16,18-19H,7-14H2,1-6H3/b21-17-,22-20-.
What are the key properties of 2-ethyl-5-[[(6Z,8Z)-6-ethyl-7,8-difluoro-9-methoxy-5-methyldeca-6,8-dien-2-yl]oxymethyl]oxane?
2-ethyl-5-[[(6Z,8Z)-6-ethyl-7,8-difluoro-9-methoxy-5-methyldeca-6,8-dien-2-yl]oxymethyl]oxane has a molecular weight of 388.54 g/mol, XLogP of 6.49, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[[(6Z,8Z)-6-ethyl-7,8-difluoro-9-methoxy-5-methyldeca-6,8-dien-2-yl]oxymethyl]oxane is sourced from PubChem (CID 143889513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).