(7Z,15E)-7,8,16-trifluoro-17-methoxy-5,10,13-trimethyl-6,9,14-trimethylideneoctadeca-7,15,17-trien-2-ol

C25H37F3O2 — CID 143909116

IUPAC(7Z,15E)-7,8,16-trifluoro-17-methoxy-5,10,13-trimethyl-6,9,14-trimethylideneoctadeca-7,15,17-trien-2-ol
SMILESC=C(OC)/C(F)=C\C(=C)C(C)CCC(C)C(=C)/C(F)=C(/F)C(=C)C(C)CCC(C)O
InChIInChI=1S/C25H37F3O2/c1-15(18(4)14-23(26)22(8)30-9)10-11-16(2)20(6)24(27)25(28)21(7)17(3)12-13-19(5)29/h14-17,19,29H,4,6-8,10-13H2,1-3,5,9H3/b23-14+,25-24-
InChIKeyXQYHBIPJCITKEB-HVNIOBLQSA-N
MW426.56 g/mol
LogP7.67
Rot. Bonds14

About (7Z,15E)-7,8,16-trifluoro-17-methoxy-5,10,13-trimethyl-6,9,14-trimethylideneoctadeca-7,15,17-trien-2-ol

(7Z,15E)-7,8,16-trifluoro-17-methoxy-5,10,13-trimethyl-6,9,14-trimethylideneoctadeca-7,15,17-trien-2-ol (PubChem CID 143909116) has the molecular formula C25H37F3O2 and a molecular weight of 426.56 g/mol. Its IUPAC name is (7Z,15E)-7,8,16-trifluoro-17-methoxy-5,10,13-trimethyl-6,9,14-trimethylideneoctadeca-7,15,17-trien-2-ol.

Molecular Properties

Compound Name(7Z,15E)-7,8,16-trifluoro-17-methoxy-5,10,13-trimethyl-6,9,14-trimethylideneoctadeca-7,15,17-trien-2-ol
PubChem CID143909116
Molecular FormulaC25H37F3O2
Molecular Weight426.56 g/mol
Exact Mass426.27
IUPAC Name(7Z,15E)-7,8,16-trifluoro-17-methoxy-5,10,13-trimethyl-6,9,14-trimethylideneoctadeca-7,15,17-trien-2-ol
SMILESC=C(OC)/C(F)=C\C(=C)C(C)CCC(C)C(=C)/C(F)=C(/F)C(=C)C(C)CCC(C)O
InChIInChI=1S/C25H37F3O2/c1-15(18(4)14-23(26)22(8)30-9)10-11-16(2)20(6)24(27)25(28)21(7)17(3)12-13-19(5)29/h14-17,19,29H,4,6-8,10-13H2,1-3,5,9H3/b23-14+,25-24-
InChIKeyXQYHBIPJCITKEB-HVNIOBLQSA-N
XLogP7.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 57.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (7Z,15E)-7,8,16-trifluoro-17-methoxy-5,10,13-trimethyl-6,9,14-trimethylideneoctadeca-7,15,17-trien-2-ol with MolForge

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Launch Full Analysis

Related Compounds

(3E,11Z)-4,11,12-trifluoro-13-methoxy-6,9-dimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraen-2-ol
CID 143875384
prop-1-ene;(3E,11Z)-4,11,12-trifluoro-13-methoxy-6,9-dimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraen-2-ol
CID 143875383
but-1-ene;(3Z,11Z)-3,4,11,12-tetrafluoro-13-methoxy-6,9-dimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraen-2-ol
CID 143875080
(E)-11-fluoro-5,6,9,14,17-pentamethyl-10,13-dimethylidenenonadec-11-en-2-ol
CID 145234988
ethene;(4E,7Z,15Z)-7,8,15,16-tetrafluoro-17-methoxy-5,10,13-trimethyl-6,9,14-trimethylideneoctadeca-4,7,15,17-tetraen-2-ol
CID 143909089
(3E)-3-fluoro-2-methoxy-5-methylhexa-1,3,5-triene;propane
CID 143383116
(3Z,7Z)-3,4-difluoro-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene
CID 176948900
(Z)-7,8-difluoro-2,5,10,13,14,17-hexamethyl-6,9-dimethylideneoctadec-7-ene
CID 143777022
(3Z,11Z)-2-ethoxy-3,4,11,12-tetrafluoro-6,9,13-trimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraene
CID 143875087
(3Z)-7-butan-2-yloxy-3,4-difluoro-2-methoxy-6-methyl-5-methylidenehepta-1,3-diene;propane
CID 145298574
4-[(8Z)-8,9-difluoro-10-methoxy-3,6-dimethyl-7-methylideneundeca-8,10-dienyl]-3-fluorophenol;prop-1-ene
CID 143875248
(3Z,13E)-3,4,13-trifluoro-15-methoxy-8,11-dimethyl-5,12-dimethylidenehexadeca-1,3,13,15-tetraen-6-yn-2-ol
CID 143875056

Frequently Asked Questions

What is the IUPAC name of (7Z,15E)-7,8,16-trifluoro-17-methoxy-5,10,13-trimethyl-6,9,14-trimethylideneoctadeca-7,15,17-trien-2-ol?
The IUPAC name of (7Z,15E)-7,8,16-trifluoro-17-methoxy-5,10,13-trimethyl-6,9,14-trimethylideneoctadeca-7,15,17-trien-2-ol (CID 143909116) is (7Z,15E)-7,8,16-trifluoro-17-methoxy-5,10,13-trimethyl-6,9,14-trimethylideneoctadeca-7,15,17-trien-2-ol.
What is the SMILES notation for (7Z,15E)-7,8,16-trifluoro-17-methoxy-5,10,13-trimethyl-6,9,14-trimethylideneoctadeca-7,15,17-trien-2-ol?
The canonical SMILES for (7Z,15E)-7,8,16-trifluoro-17-methoxy-5,10,13-trimethyl-6,9,14-trimethylideneoctadeca-7,15,17-trien-2-ol is C=C(OC)/C(F)=C\C(=C)C(C)CCC(C)C(=C)/C(F)=C(/F)C(=C)C(C)CCC(C)O.
What is the InChIKey of (7Z,15E)-7,8,16-trifluoro-17-methoxy-5,10,13-trimethyl-6,9,14-trimethylideneoctadeca-7,15,17-trien-2-ol?
The InChIKey is XQYHBIPJCITKEB-HVNIOBLQSA-N. The full InChI is InChI=1S/C25H37F3O2/c1-15(18(4)14-23(26)22(8)30-9)10-11-16(2)20(6)24(27)25(28)21(7)17(3)12-13-19(5)29/h14-17,19,29H,4,6-8,10-13H2,1-3,5,9H3/b23-14+,25-24-.
What are the key properties of (7Z,15E)-7,8,16-trifluoro-17-methoxy-5,10,13-trimethyl-6,9,14-trimethylideneoctadeca-7,15,17-trien-2-ol?
(7Z,15E)-7,8,16-trifluoro-17-methoxy-5,10,13-trimethyl-6,9,14-trimethylideneoctadeca-7,15,17-trien-2-ol has a molecular weight of 426.56 g/mol, XLogP of 7.67, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z,15E)-7,8,16-trifluoro-17-methoxy-5,10,13-trimethyl-6,9,14-trimethylideneoctadeca-7,15,17-trien-2-ol is sourced from PubChem (CID 143909116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).