(3Z,11Z)-2-butoxy-13-ethoxy-3,4,11,12-tetrafluoro-6,9-dimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraene

C24H34F4O2 — CID 143875231

IUPAC(3Z,11Z)-2-butoxy-13-ethoxy-3,4,11,12-tetrafluoro-6,9-dimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraene
SMILESC=C(OCC)/C(F)=C(/F)C(=C)C(C)CCC(C)C(=C)/C(F)=C(/F)C(=C)OCCCC
InChIInChI=1S/C24H34F4O2/c1-9-11-14-30-20(8)24(28)22(26)18(6)16(4)13-12-15(3)17(5)21(25)23(27)19(7)29-10-2/h15-16H,5-14H2,1-4H3/b23-21-,24-22-
InChIKeyUEBVXEXUXUSMBV-SXAUZNKPSA-N
MW430.53 g/mol
LogP8.33
Rot. Bonds15

About (3Z,11Z)-2-butoxy-13-ethoxy-3,4,11,12-tetrafluoro-6,9-dimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraene

(3Z,11Z)-2-butoxy-13-ethoxy-3,4,11,12-tetrafluoro-6,9-dimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraene (PubChem CID 143875231) has the molecular formula C24H34F4O2 and a molecular weight of 430.53 g/mol. Its IUPAC name is (3Z,11Z)-2-butoxy-13-ethoxy-3,4,11,12-tetrafluoro-6,9-dimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraene.

Molecular Properties

Compound Name(3Z,11Z)-2-butoxy-13-ethoxy-3,4,11,12-tetrafluoro-6,9-dimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraene
PubChem CID143875231
Molecular FormulaC24H34F4O2
Molecular Weight430.53 g/mol
Exact Mass430.25
IUPAC Name(3Z,11Z)-2-butoxy-13-ethoxy-3,4,11,12-tetrafluoro-6,9-dimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraene
SMILESC=C(OCC)/C(F)=C(/F)C(=C)C(C)CCC(C)C(=C)/C(F)=C(/F)C(=C)OCCCC
InChIInChI=1S/C24H34F4O2/c1-9-11-14-30-20(8)24(28)22(26)18(6)16(4)13-12-15(3)17(5)21(25)23(27)19(7)29-10-2/h15-16H,5-14H2,1-4H3/b23-21-,24-22-
InChIKeyUEBVXEXUXUSMBV-SXAUZNKPSA-N
XLogP8.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.53
LogP ≤ 58.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

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CID 88953273
(1Z,3E,5E,7E,9E)-11-butyl-10-ethenyl-3-ethoxy-1,2-difluoro-14-methylpentadeca-1,3,5,7,9-pentaene
CID 126727542
[(3Z)-5-ethoxy-3,4-difluorohexa-1,3,5-trien-2-yl]cyclohexane
CID 126727563
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CID 134375168
(3Z)-3,4-difluoro-2-methoxy-6,9,10,13-tetramethyl-5-methylidenepentadeca-1,3-diene
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CID 138534900
(6Z,8Z)-8,9-difluoro-5-methylidene-7-(4-pentylcycloheptyl)-2-propyl-2,3,4,10-tetrahydrooxecine
CID 143211258
1-[(4Z)-6-ethoxy-4,5-difluoro-3-methylidenehepta-4,6-dienyl]-4-(4-methylcyclohexyl)cyclohexane
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(3Z,7Z,11Z)-3,4,11,12-tetrafluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-[(Z)-prop-1-enoxy]octadeca-1,3,7,11-tetraene
CID 143772369
(1Z)-4-methyl-2-methylidene-1-[(4Z,8Z,12Z)-4,5,12,13-tetrafluoro-2,3,6,7,10,11-hexamethylidene-14-prop-2-enoxypentadeca-4,8,12,14-tetraenylidene]cyclohexane
CID 143772372
(3Z,7Z,11E)-2-butoxy-3,4,11-trifluoro-14,17-dimethyl-5,6,9,10,13-pentamethylideneoctadeca-1,3,7,11-tetraene
CID 143772417

Frequently Asked Questions

What is the IUPAC name of (3Z,11Z)-2-butoxy-13-ethoxy-3,4,11,12-tetrafluoro-6,9-dimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraene?
The IUPAC name of (3Z,11Z)-2-butoxy-13-ethoxy-3,4,11,12-tetrafluoro-6,9-dimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraene (CID 143875231) is (3Z,11Z)-2-butoxy-13-ethoxy-3,4,11,12-tetrafluoro-6,9-dimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraene.
What is the SMILES notation for (3Z,11Z)-2-butoxy-13-ethoxy-3,4,11,12-tetrafluoro-6,9-dimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraene?
The canonical SMILES for (3Z,11Z)-2-butoxy-13-ethoxy-3,4,11,12-tetrafluoro-6,9-dimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraene is C=C(OCC)/C(F)=C(/F)C(=C)C(C)CCC(C)C(=C)/C(F)=C(/F)C(=C)OCCCC.
What is the InChIKey of (3Z,11Z)-2-butoxy-13-ethoxy-3,4,11,12-tetrafluoro-6,9-dimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraene?
The InChIKey is UEBVXEXUXUSMBV-SXAUZNKPSA-N. The full InChI is InChI=1S/C24H34F4O2/c1-9-11-14-30-20(8)24(28)22(26)18(6)16(4)13-12-15(3)17(5)21(25)23(27)19(7)29-10-2/h15-16H,5-14H2,1-4H3/b23-21-,24-22-.
What are the key properties of (3Z,11Z)-2-butoxy-13-ethoxy-3,4,11,12-tetrafluoro-6,9-dimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraene?
(3Z,11Z)-2-butoxy-13-ethoxy-3,4,11,12-tetrafluoro-6,9-dimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraene has a molecular weight of 430.53 g/mol, XLogP of 8.33, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,11Z)-2-butoxy-13-ethoxy-3,4,11,12-tetrafluoro-6,9-dimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraene is sourced from PubChem (CID 143875231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).