(7Z,11Z,15E)-7,8,16-trifluoro-6,9,10,13,14,17-hexamethylidene-18-(2-methylpropoxy)nonadeca-1,7,11,15-tetraene

C29H37F3O — CID 143772524

IUPAC(7Z,11Z,15E)-7,8,16-trifluoro-6,9,10,13,14,17-hexamethylidene-18-(2-methylpropoxy)nonadeca-1,7,11,15-tetraene
SMILESC=CCCCC(=C)/C(F)=C(/F)C(=C)C(=C)/C=C\C(=C)C(=C)/C=C(/F)C(=C)C(C)OCC(C)C
InChIInChI=1S/C29H37F3O/c1-11-12-13-14-22(6)28(31)29(32)24(8)21(5)16-15-20(4)23(7)17-27(30)25(9)26(10)33-18-19(2)3/h11,15-17,19,26H,1,4-9,12-14,18H2,2-3,10H3/b16-15-,27-17+,29-28-
InChIKeyDJQQVCZUUULIGS-YCSRSAMDSA-N
MW458.61 g/mol
LogP9.30
Rot. Bonds16

About (7Z,11Z,15E)-7,8,16-trifluoro-6,9,10,13,14,17-hexamethylidene-18-(2-methylpropoxy)nonadeca-1,7,11,15-tetraene

(7Z,11Z,15E)-7,8,16-trifluoro-6,9,10,13,14,17-hexamethylidene-18-(2-methylpropoxy)nonadeca-1,7,11,15-tetraene (PubChem CID 143772524) has the molecular formula C29H37F3O and a molecular weight of 458.61 g/mol. Its IUPAC name is (7Z,11Z,15E)-7,8,16-trifluoro-6,9,10,13,14,17-hexamethylidene-18-(2-methylpropoxy)nonadeca-1,7,11,15-tetraene.

Molecular Properties

Compound Name(7Z,11Z,15E)-7,8,16-trifluoro-6,9,10,13,14,17-hexamethylidene-18-(2-methylpropoxy)nonadeca-1,7,11,15-tetraene
PubChem CID143772524
Molecular FormulaC29H37F3O
Molecular Weight458.61 g/mol
Exact Mass458.28
IUPAC Name(7Z,11Z,15E)-7,8,16-trifluoro-6,9,10,13,14,17-hexamethylidene-18-(2-methylpropoxy)nonadeca-1,7,11,15-tetraene
SMILESC=CCCCC(=C)/C(F)=C(/F)C(=C)C(=C)/C=C\C(=C)C(=C)/C=C(/F)C(=C)C(C)OCC(C)C
InChIInChI=1S/C29H37F3O/c1-11-12-13-14-22(6)28(31)29(32)24(8)21(5)16-15-20(4)23(7)17-27(30)25(9)26(10)33-18-19(2)3/h11,15-17,19,26H,1,4-9,12-14,18H2,2-3,10H3/b16-15-,27-17+,29-28-
InChIKeyDJQQVCZUUULIGS-YCSRSAMDSA-N
XLogP9.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7Z,11Z,15E)-7,8,16-trifluoro-6,9,10,13,14,17-hexamethylidene-18-(2-methylpropoxy)nonadeca-1,7,11,15-tetraene?
The IUPAC name of (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) is (7Z,11Z,15E)-7,8,16-trifluoro-6,9,10,13,14,17-hexamethylidene-18-(2-methylpropoxy)nonadeca-1,7,11,15-tetraene.
What is the SMILES notation for (7Z,11Z,15E)-7,8,16-trifluoro-6,9,10,13,14,17-hexamethylidene-18-(2-methylpropoxy)nonadeca-1,7,11,15-tetraene?
The canonical SMILES for (7Z,11Z,15E)-7,8,16-trifluoro-6,9,10,13,14,17-hexamethylidene-18-(2-methylpropoxy)nonadeca-1,7,11,15-tetraene is C=CCCCC(=C)/C(F)=C(/F)C(=C)C(=C)/C=C\C(=C)C(=C)/C=C(/F)C(=C)C(C)OCC(C)C.
What is the InChIKey of (7Z,11Z,15E)-7,8,16-trifluoro-6,9,10,13,14,17-hexamethylidene-18-(2-methylpropoxy)nonadeca-1,7,11,15-tetraene?
The InChIKey is DJQQVCZUUULIGS-YCSRSAMDSA-N. The full InChI is InChI=1S/C29H37F3O/c1-11-12-13-14-22(6)28(31)29(32)24(8)21(5)16-15-20(4)23(7)17-27(30)25(9)26(10)33-18-19(2)3/h11,15-17,19,26H,1,4-9,12-14,18H2,2-3,10H3/b16-15-,27-17+,29-28-.
What are the key properties of (7Z,11Z,15E)-7,8,16-trifluoro-6,9,10,13,14,17-hexamethylidene-18-(2-methylpropoxy)nonadeca-1,7,11,15-tetraene?
(7Z,11Z,15E)-7,8,16-trifluoro-6,9,10,13,14,17-hexamethylidene-18-(2-methylpropoxy)nonadeca-1,7,11,15-tetraene has a molecular weight of 458.61 g/mol, XLogP of 9.30, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z,11Z,15E)-7,8,16-trifluoro-6,9,10,13,14,17-hexamethylidene-18-(2-methylpropoxy)nonadeca-1,7,11,15-tetraene is sourced from PubChem (CID 143772524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).