(3Z,7Z,11Z)-3,4,11,12-tetrafluoro-2-methyl-5,6,9,10,13-pentamethylidene-14-(2-methylpropoxy)pentadeca-1,3,7,11-tetraene

C25H30F4O — CID 143772477

IUPAC(3Z,7Z,11Z)-3,4,11,12-tetrafluoro-2-methyl-5,6,9,10,13-pentamethylidene-14-(2-methylpropoxy)pentadeca-1,3,7,11-tetraene
SMILESC=C(/C=C\C(=C)C(=C)/C(F)=C(/F)C(=C)C(C)OCC(C)C)C(=C)/C(F)=C(/F)C(=C)C
InChIInChI=1S/C25H30F4O/c1-14(2)13-30-21(10)20(9)25(29)24(28)19(8)17(6)12-11-16(5)18(7)23(27)22(26)15(3)4/h11-12,14,21H,3,5-9,13H2,1-2,4,10H3/b12-11-,23-22-,25-24-
InChIKeyIJLPZMGGORAAEN-DVUHRYKSSA-N
MW422.51 g/mol
LogP8.26
Rot. Bonds12

About (3Z,7Z,11Z)-3,4,11,12-tetrafluoro-2-methyl-5,6,9,10,13-pentamethylidene-14-(2-methylpropoxy)pentadeca-1,3,7,11-tetraene

(3Z,7Z,11Z)-3,4,11,12-tetrafluoro-2-methyl-5,6,9,10,13-pentamethylidene-14-(2-methylpropoxy)pentadeca-1,3,7,11-tetraene (PubChem CID 143772477) has the molecular formula C25H30F4O and a molecular weight of 422.51 g/mol. Its IUPAC name is (3Z,7Z,11Z)-3,4,11,12-tetrafluoro-2-methyl-5,6,9,10,13-pentamethylidene-14-(2-methylpropoxy)pentadeca-1,3,7,11-tetraene.

Molecular Properties

Compound Name(3Z,7Z,11Z)-3,4,11,12-tetrafluoro-2-methyl-5,6,9,10,13-pentamethylidene-14-(2-methylpropoxy)pentadeca-1,3,7,11-tetraene
PubChem CID143772477
Molecular FormulaC25H30F4O
Molecular Weight422.51 g/mol
Exact Mass422.22
IUPAC Name(3Z,7Z,11Z)-3,4,11,12-tetrafluoro-2-methyl-5,6,9,10,13-pentamethylidene-14-(2-methylpropoxy)pentadeca-1,3,7,11-tetraene
SMILESC=C(/C=C\C(=C)C(=C)/C(F)=C(/F)C(=C)C(C)OCC(C)C)C(=C)/C(F)=C(/F)C(=C)C
InChIInChI=1S/C25H30F4O/c1-14(2)13-30-21(10)20(9)25(29)24(28)19(8)17(6)12-11-16(5)18(7)23(27)22(26)15(3)4/h11-12,14,21H,3,5-9,13H2,1-2,4,10H3/b12-11-,23-22-,25-24-
InChIKeyIJLPZMGGORAAEN-DVUHRYKSSA-N
XLogP8.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.51
LogP ≤ 58.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3Z,7Z,11Z)-3,4,11,12-tetrafluoro-2-methyl-5,6,9,10,13-pentamethylidene-14-(2-methylpropoxy)pentadeca-1,3,7,11-tetraene with MolForge

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Related Compounds

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CID 68274748
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CID 88214480
6-Fluoro-2-methyl-5-(trifluoromethoxy)cyclohexa-1,3-diene
CID 88986443
2-(fluoromethyl)-5-prop-1-enyl-3,6-dihydro-2H-pyran
CID 89306006
5-Fluoro-2-(propan-2-yloxymethyl)cyclohexa-1,3-diene
CID 89420002
6-(2-Fluoro-2-methylbut-3-enoxy)-3-propan-2-ylocta-1,2,4,6-tetraene
CID 91554669
2-(1-Ethoxy-2,2,2-trifluoroethyl)cyclohexa-1,3-diene
CID 118900161
5-[6-Fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxy-6-methyl-2-propan-2-ylcyclohexa-1,3-diene
CID 123900538
5-(2-Fluoroethoxy)-2-methylcyclohexa-1,3-diene
CID 126554345
(3Z,5E)-5-ethyl-2-fluoro-7-propan-2-yloxyhepta-1,3,5-triene
CID 130371096
(3E,5E)-9,9,9-trifluoro-2-methoxy-3,8-dimethyl-5-(trifluoromethyl)nona-3,5-diene
CID 134172263
(3E,5E)-1,1,1-trifluoro-7-methoxy-2,6-dimethyl-4-(trifluoromethyl)octa-3,5-diene
CID 134172266

Frequently Asked Questions

What is the IUPAC name of (3Z,7Z,11Z)-3,4,11,12-tetrafluoro-2-methyl-5,6,9,10,13-pentamethylidene-14-(2-methylpropoxy)pentadeca-1,3,7,11-tetraene?
The IUPAC name of (3Z,7Z,11Z)-3,4,11,12-tetrafluoro-2-methyl-5,6,9,10,13-pentamethylidene-14-(2-methylpropoxy)pentadeca-1,3,7,11-tetraene (CID 143772477) is (3Z,7Z,11Z)-3,4,11,12-tetrafluoro-2-methyl-5,6,9,10,13-pentamethylidene-14-(2-methylpropoxy)pentadeca-1,3,7,11-tetraene.
What is the SMILES notation for (3Z,7Z,11Z)-3,4,11,12-tetrafluoro-2-methyl-5,6,9,10,13-pentamethylidene-14-(2-methylpropoxy)pentadeca-1,3,7,11-tetraene?
The canonical SMILES for (3Z,7Z,11Z)-3,4,11,12-tetrafluoro-2-methyl-5,6,9,10,13-pentamethylidene-14-(2-methylpropoxy)pentadeca-1,3,7,11-tetraene is C=C(/C=C\C(=C)C(=C)/C(F)=C(/F)C(=C)C(C)OCC(C)C)C(=C)/C(F)=C(/F)C(=C)C.
What is the InChIKey of (3Z,7Z,11Z)-3,4,11,12-tetrafluoro-2-methyl-5,6,9,10,13-pentamethylidene-14-(2-methylpropoxy)pentadeca-1,3,7,11-tetraene?
The InChIKey is IJLPZMGGORAAEN-DVUHRYKSSA-N. The full InChI is InChI=1S/C25H30F4O/c1-14(2)13-30-21(10)20(9)25(29)24(28)19(8)17(6)12-11-16(5)18(7)23(27)22(26)15(3)4/h11-12,14,21H,3,5-9,13H2,1-2,4,10H3/b12-11-,23-22-,25-24-.
What are the key properties of (3Z,7Z,11Z)-3,4,11,12-tetrafluoro-2-methyl-5,6,9,10,13-pentamethylidene-14-(2-methylpropoxy)pentadeca-1,3,7,11-tetraene?
(3Z,7Z,11Z)-3,4,11,12-tetrafluoro-2-methyl-5,6,9,10,13-pentamethylidene-14-(2-methylpropoxy)pentadeca-1,3,7,11-tetraene has a molecular weight of 422.51 g/mol, XLogP of 8.26, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7Z,11Z)-3,4,11,12-tetrafluoro-2-methyl-5,6,9,10,13-pentamethylidene-14-(2-methylpropoxy)pentadeca-1,3,7,11-tetraene is sourced from PubChem (CID 143772477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).