(2E,7Z,11Z,15E)-7,8,15-trifluoro-18-methyl-6,9,10,13,14,17-hexamethylidene-19-propan-2-yloxynonadeca-2,7,11,15-tetraene

C29H37F3O — CID 143772550

IUPAC(2E,7Z,11Z,15E)-7,8,15-trifluoro-18-methyl-6,9,10,13,14,17-hexamethylidene-19-propan-2-yloxynonadeca-2,7,11,15-tetraene
SMILESC=C(/C=C\C(=C)C(=C)/C(F)=C\C(=C)C(C)COC(C)C)C(=C)/C(F)=C(/F)C(=C)CC/C=C/C
InChIInChI=1S/C29H37F3O/c1-11-12-13-14-22(6)28(31)29(32)26(10)21(5)16-15-20(4)25(9)27(30)17-23(7)24(8)18-33-19(2)3/h11-12,15-17,19,24H,4-7,9-10,13-14,18H2,1-3,8H3/b12-11+,16-15-,27-17+,29-28-
InChIKeyIDTNYWWMHQRNQH-JNSQNBBASA-N
MW458.61 g/mol
LogP9.30
Rot. Bonds15

About (2E,7Z,11Z,15E)-7,8,15-trifluoro-18-methyl-6,9,10,13,14,17-hexamethylidene-19-propan-2-yloxynonadeca-2,7,11,15-tetraene

(2E,7Z,11Z,15E)-7,8,15-trifluoro-18-methyl-6,9,10,13,14,17-hexamethylidene-19-propan-2-yloxynonadeca-2,7,11,15-tetraene (PubChem CID 143772550) has the molecular formula C29H37F3O and a molecular weight of 458.61 g/mol. Its IUPAC name is (2E,7Z,11Z,15E)-7,8,15-trifluoro-18-methyl-6,9,10,13,14,17-hexamethylidene-19-propan-2-yloxynonadeca-2,7,11,15-tetraene.

Molecular Properties

Compound Name(2E,7Z,11Z,15E)-7,8,15-trifluoro-18-methyl-6,9,10,13,14,17-hexamethylidene-19-propan-2-yloxynonadeca-2,7,11,15-tetraene
PubChem CID143772550
Molecular FormulaC29H37F3O
Molecular Weight458.61 g/mol
Exact Mass458.28
IUPAC Name(2E,7Z,11Z,15E)-7,8,15-trifluoro-18-methyl-6,9,10,13,14,17-hexamethylidene-19-propan-2-yloxynonadeca-2,7,11,15-tetraene
SMILESC=C(/C=C\C(=C)C(=C)/C(F)=C\C(=C)C(C)COC(C)C)C(=C)/C(F)=C(/F)C(=C)CC/C=C/C
InChIInChI=1S/C29H37F3O/c1-11-12-13-14-22(6)28(31)29(32)26(10)21(5)16-15-20(4)25(9)27(30)17-23(7)24(8)18-33-19(2)3/h11-12,15-17,19,24H,4-7,9-10,13-14,18H2,1-3,8H3/b12-11+,16-15-,27-17+,29-28-
InChIKeyIDTNYWWMHQRNQH-JNSQNBBASA-N
XLogP9.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.61
LogP ≤ 59.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,7Z,11Z,15E)-7,8,15-trifluoro-18-methyl-6,9,10,13,14,17-hexamethylidene-19-propan-2-yloxynonadeca-2,7,11,15-tetraene with MolForge

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Related Compounds

(3E,8Z,11Z,13Z)-1-ethoxy-9-fluoro-5,14-dimethyl-13-propylideneheptadeca-3,8,11-triene
CID 132151903
6-(2-Fluoroethoxy)-2-propan-2-ylcyclohepta-1,3-diene
CID 134376263
(3Z,7Z,11E)-3,4,11-trifluoro-14-methyl-5,6,9,10,13-pentamethylidene-15-propan-2-yloxy-2-propoxypentadeca-1,3,7,11-tetraene
CID 143772363
(3Z,7Z,11E)-3,4,11-trifluoro-2,14-dimethyl-5,6,9,10,13-pentamethylidene-15-propan-2-yloxypentadeca-1,3,7,11-tetraene
CID 143772452
(2E,7Z,11Z,15Z)-7,8,15,16-tetrafluoro-6,9,10,13,14,17-hexamethylidene-18-(2-methylpropoxy)nonadeca-2,7,11,15-tetraene
CID 143772467
(8Z,12Z,16E)-8,9,16-trifluoro-19-methyl-7,10,11,14,15,18-hexamethylidene-20-propan-2-yloxyicosa-1,8,12,16-tetraene
CID 143772490
(2E,7Z,11Z,15Z)-7,8,15,16-tetrafluoro-18-methyl-6,9,10,13,14,17-hexamethylidene-19-propan-2-yloxynonadeca-2,7,11,15-tetraene
CID 143772499
(5Z,9Z,13E)-17-ethoxy-5,6,13-trifluoro-16-methyl-4,7,8,11,12,15-hexamethylideneheptadeca-1,5,9,13-tetraene
CID 143772508
(2Z,8Z,12Z,16Z)-8,9,16,17-tetrafluoro-19-methyl-7,10,11,14,15,18-hexamethylidene-20-propan-2-yloxyicosa-2,8,12,16-tetraene
CID 143772509
(7Z,11Z,15E)-7,8,16-trifluoro-6,9,10,13,14,17-hexamethylidene-18-(2-methylpropoxy)nonadeca-1,7,11,15-tetraene
CID 143772524
(3Z,7Z,11Z,15Z)-7,8,15,16-tetrafluoro-18-methyl-6,9,10,13,14,17-hexamethylidene-19-propan-2-yloxynonadeca-3,7,11,15-tetraene
CID 143772533
(6Z,10Z,14E)-6,7,14-trifluoro-17-methyl-5,8,9,12,13,16-hexamethylidene-18-propan-2-yloxyoctadeca-1,6,10,14-tetraene
CID 143772556

Frequently Asked Questions

What is the IUPAC name of (2E,7Z,11Z,15E)-7,8,15-trifluoro-18-methyl-6,9,10,13,14,17-hexamethylidene-19-propan-2-yloxynonadeca-2,7,11,15-tetraene?
The IUPAC name of (2E,7Z,11Z,15E)-7,8,15-trifluoro-18-methyl-6,9,10,13,14,17-hexamethylidene-19-propan-2-yloxynonadeca-2,7,11,15-tetraene (CID 143772550) is (2E,7Z,11Z,15E)-7,8,15-trifluoro-18-methyl-6,9,10,13,14,17-hexamethylidene-19-propan-2-yloxynonadeca-2,7,11,15-tetraene.
What is the SMILES notation for (2E,7Z,11Z,15E)-7,8,15-trifluoro-18-methyl-6,9,10,13,14,17-hexamethylidene-19-propan-2-yloxynonadeca-2,7,11,15-tetraene?
The canonical SMILES for (2E,7Z,11Z,15E)-7,8,15-trifluoro-18-methyl-6,9,10,13,14,17-hexamethylidene-19-propan-2-yloxynonadeca-2,7,11,15-tetraene is C=C(/C=C\C(=C)C(=C)/C(F)=C\C(=C)C(C)COC(C)C)C(=C)/C(F)=C(/F)C(=C)CC/C=C/C.
What is the InChIKey of (2E,7Z,11Z,15E)-7,8,15-trifluoro-18-methyl-6,9,10,13,14,17-hexamethylidene-19-propan-2-yloxynonadeca-2,7,11,15-tetraene?
The InChIKey is IDTNYWWMHQRNQH-JNSQNBBASA-N. The full InChI is InChI=1S/C29H37F3O/c1-11-12-13-14-22(6)28(31)29(32)26(10)21(5)16-15-20(4)25(9)27(30)17-23(7)24(8)18-33-19(2)3/h11-12,15-17,19,24H,4-7,9-10,13-14,18H2,1-3,8H3/b12-11+,16-15-,27-17+,29-28-.
What are the key properties of (2E,7Z,11Z,15E)-7,8,15-trifluoro-18-methyl-6,9,10,13,14,17-hexamethylidene-19-propan-2-yloxynonadeca-2,7,11,15-tetraene?
(2E,7Z,11Z,15E)-7,8,15-trifluoro-18-methyl-6,9,10,13,14,17-hexamethylidene-19-propan-2-yloxynonadeca-2,7,11,15-tetraene has a molecular weight of 458.61 g/mol, XLogP of 9.30, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,7Z,11Z,15E)-7,8,15-trifluoro-18-methyl-6,9,10,13,14,17-hexamethylidene-19-propan-2-yloxynonadeca-2,7,11,15-tetraene is sourced from PubChem (CID 143772550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).