(7Z,12E,15Z)-7,8,15,16-tetrafluoro-17-methoxy-5,10,13-trimethyl-6,9,14-trimethylideneoctadeca-7,12,15,17-tetraen-2-ol

C25H34F4O2 — CID 143908772

IUPAC(7Z,12E,15Z)-7,8,15,16-tetrafluoro-17-methoxy-5,10,13-trimethyl-6,9,14-trimethylideneoctadeca-7,12,15,17-tetraen-2-ol
SMILESC=C(OC)/C(F)=C(\F)C(=C)/C(C)=C/CC(C)C(=C)/C(F)=C(/F)C(=C)C(C)CCC(C)O
InChIInChI=1S/C25H34F4O2/c1-14(10-11-15(2)20(7)24(28)25(29)21(8)31-9)18(5)22(26)23(27)19(6)16(3)12-13-17(4)30/h11,14,16-17,30H,5-8,10,12-13H2,1-4,9H3/b15-11+,23-22-,25-24-
InChIKeyJVOUTUCANZTGIH-MLHHNRDJSA-N
MW442.54 g/mol
LogP7.89
Rot. Bonds13

About (7Z,12E,15Z)-7,8,15,16-tetrafluoro-17-methoxy-5,10,13-trimethyl-6,9,14-trimethylideneoctadeca-7,12,15,17-tetraen-2-ol

(7Z,12E,15Z)-7,8,15,16-tetrafluoro-17-methoxy-5,10,13-trimethyl-6,9,14-trimethylideneoctadeca-7,12,15,17-tetraen-2-ol (PubChem CID 143908772) has the molecular formula C25H34F4O2 and a molecular weight of 442.54 g/mol. Its IUPAC name is (7Z,12E,15Z)-7,8,15,16-tetrafluoro-17-methoxy-5,10,13-trimethyl-6,9,14-trimethylideneoctadeca-7,12,15,17-tetraen-2-ol.

Molecular Properties

Compound Name(7Z,12E,15Z)-7,8,15,16-tetrafluoro-17-methoxy-5,10,13-trimethyl-6,9,14-trimethylideneoctadeca-7,12,15,17-tetraen-2-ol
PubChem CID143908772
Molecular FormulaC25H34F4O2
Molecular Weight442.54 g/mol
Exact Mass442.25
IUPAC Name(7Z,12E,15Z)-7,8,15,16-tetrafluoro-17-methoxy-5,10,13-trimethyl-6,9,14-trimethylideneoctadeca-7,12,15,17-tetraen-2-ol
SMILESC=C(OC)/C(F)=C(\F)C(=C)/C(C)=C/CC(C)C(=C)/C(F)=C(/F)C(=C)C(C)CCC(C)O
InChIInChI=1S/C25H34F4O2/c1-14(10-11-15(2)20(7)24(28)25(29)21(8)31-9)18(5)22(26)23(27)19(6)16(3)12-13-17(4)30/h11,14,16-17,30H,5-8,10,12-13H2,1-4,9H3/b15-11+,23-22-,25-24-
InChIKeyJVOUTUCANZTGIH-MLHHNRDJSA-N
XLogP7.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.54
LogP ≤ 57.89
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,12E,15Z)-7,8,15,16-tetrafluoro-17-methoxy-5,10,13-trimethyl-6,9,14-trimethylideneoctadeca-7,12,15,17-tetraen-2-ol with MolForge

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Related Compounds

(6Z,8E)-8-ethoxy-6,7-difluoro-4-methyl-5-methylideneundeca-6,8-dien-1-ol
CID 134447520
(7E,11Z,15Z)-7,15,16-trifluoro-5-methyl-6,9,10,13,14-pentamethylidene-17-prop-2-enoxyoctadeca-7,11,15,17-tetraen-2-ol
CID 143772621
(3Z,7Z,11E)-3,4,12-trifluoro-14-methyl-5,6,9,10,13-pentamethylidene-2-[(Z)-prop-1-enoxy]-17-propoxyoctadeca-1,3,7,11-tetraene
CID 143772832
(7E,11Z,15Z)-17-but-3-enoxy-7,15,16-trifluoro-5-methyl-6,9,10,13,14-pentamethylideneoctadeca-7,11,15,17-tetraen-2-ol
CID 143773029
(7Z,15Z)-17-butoxy-7,8,15,16-tetrafluoro-5,10,13-trimethyl-6,9,14-trimethylideneoctadeca-7,15,17-trien-2-ol
CID 143909289
(3Z,7E)-2-[1,1-difluoro-2,5-dimethyl-6-(2-methylpropoxy)heptoxy]-3,4,8-trifluoro-5,6-dimethylidene-9-(trifluoromethoxy)deca-1,3,7,9-tetraene
CID 144687319
(7E,11Z)-3,7-difluoro-14-methyl-5,6,9,10,13-pentamethylidene-2-(trifluoromethoxy)-17-[(3E)-1,1,3-trifluoro-5-methyl-2-methylidenehexa-3,5-dienoxy]octadeca-1,3,7,11-tetraene
CID 145464099
(3Z)-2-ethoxy-3,4-difluoro-7,10-dimethyl-5-methylidenetetradeca-1,3-dien-6-ol
CID 178586058
(3Z)-3,4-difluoro-2-methoxy-7,10,11,14-tetramethyl-5-methylideneoctadeca-1,3-dien-6-ol
CID 178586141
(3Z)-3,4-difluoro-2-methoxy-7,10-dimethyl-5-methylideneundeca-1,3-dien-6-ol
CID 178586144
(3Z)-2-ethoxy-3,4-difluoro-7,10,11,14-tetramethyl-5-methylidenehexadeca-1,3-dien-6-ol
CID 178586196
(3Z)-2-ethoxy-3,4-difluoro-7,10-dimethyl-5-methylidenetrideca-1,3-dien-6-ol
CID 178586215

Frequently Asked Questions

What is the IUPAC name of (7Z,12E,15Z)-7,8,15,16-tetrafluoro-17-methoxy-5,10,13-trimethyl-6,9,14-trimethylideneoctadeca-7,12,15,17-tetraen-2-ol?
The IUPAC name of (7Z,12E,15Z)-7,8,15,16-tetrafluoro-17-methoxy-5,10,13-trimethyl-6,9,14-trimethylideneoctadeca-7,12,15,17-tetraen-2-ol (CID 143908772) is (7Z,12E,15Z)-7,8,15,16-tetrafluoro-17-methoxy-5,10,13-trimethyl-6,9,14-trimethylideneoctadeca-7,12,15,17-tetraen-2-ol.
What is the SMILES notation for (7Z,12E,15Z)-7,8,15,16-tetrafluoro-17-methoxy-5,10,13-trimethyl-6,9,14-trimethylideneoctadeca-7,12,15,17-tetraen-2-ol?
The canonical SMILES for (7Z,12E,15Z)-7,8,15,16-tetrafluoro-17-methoxy-5,10,13-trimethyl-6,9,14-trimethylideneoctadeca-7,12,15,17-tetraen-2-ol is C=C(OC)/C(F)=C(\F)C(=C)/C(C)=C/CC(C)C(=C)/C(F)=C(/F)C(=C)C(C)CCC(C)O.
What is the InChIKey of (7Z,12E,15Z)-7,8,15,16-tetrafluoro-17-methoxy-5,10,13-trimethyl-6,9,14-trimethylideneoctadeca-7,12,15,17-tetraen-2-ol?
The InChIKey is JVOUTUCANZTGIH-MLHHNRDJSA-N. The full InChI is InChI=1S/C25H34F4O2/c1-14(10-11-15(2)20(7)24(28)25(29)21(8)31-9)18(5)22(26)23(27)19(6)16(3)12-13-17(4)30/h11,14,16-17,30H,5-8,10,12-13H2,1-4,9H3/b15-11+,23-22-,25-24-.
What are the key properties of (7Z,12E,15Z)-7,8,15,16-tetrafluoro-17-methoxy-5,10,13-trimethyl-6,9,14-trimethylideneoctadeca-7,12,15,17-tetraen-2-ol?
(7Z,12E,15Z)-7,8,15,16-tetrafluoro-17-methoxy-5,10,13-trimethyl-6,9,14-trimethylideneoctadeca-7,12,15,17-tetraen-2-ol has a molecular weight of 442.54 g/mol, XLogP of 7.89, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z,12E,15Z)-7,8,15,16-tetrafluoro-17-methoxy-5,10,13-trimethyl-6,9,14-trimethylideneoctadeca-7,12,15,17-tetraen-2-ol is sourced from PubChem (CID 143908772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).