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

C28H42F4O2 — CID 143909289

IUPAC(7Z,15Z)-17-butoxy-7,8,15,16-tetrafluoro-5,10,13-trimethyl-6,9,14-trimethylideneoctadeca-7,15,17-trien-2-ol
SMILESC=C(OCCCC)/C(F)=C(/F)C(=C)C(C)CCC(C)C(=C)/C(F)=C(/F)C(=C)C(C)CCC(C)O
InChIInChI=1S/C28H42F4O2/c1-10-11-16-34-24(9)28(32)27(31)23(8)18(3)13-12-17(2)21(6)25(29)26(30)22(7)19(4)14-15-20(5)33/h17-20,33H,6-16H2,1-5H3/b26-25-,28-27-
InChIKeyDSHCZBVMIZYOEJ-FNBANUKLSA-N
MW486.63 g/mol
LogP9.14
Rot. Bonds17

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

(7Z,15Z)-17-butoxy-7,8,15,16-tetrafluoro-5,10,13-trimethyl-6,9,14-trimethylideneoctadeca-7,15,17-trien-2-ol (PubChem CID 143909289) has the molecular formula C28H42F4O2 and a molecular weight of 486.63 g/mol. Its IUPAC name is (7Z,15Z)-17-butoxy-7,8,15,16-tetrafluoro-5,10,13-trimethyl-6,9,14-trimethylideneoctadeca-7,15,17-trien-2-ol.

Molecular Properties

Compound Name(7Z,15Z)-17-butoxy-7,8,15,16-tetrafluoro-5,10,13-trimethyl-6,9,14-trimethylideneoctadeca-7,15,17-trien-2-ol
PubChem CID143909289
Molecular FormulaC28H42F4O2
Molecular Weight486.63 g/mol
Exact Mass486.31
IUPAC Name(7Z,15Z)-17-butoxy-7,8,15,16-tetrafluoro-5,10,13-trimethyl-6,9,14-trimethylideneoctadeca-7,15,17-trien-2-ol
SMILESC=C(OCCCC)/C(F)=C(/F)C(=C)C(C)CCC(C)C(=C)/C(F)=C(/F)C(=C)C(C)CCC(C)O
InChIInChI=1S/C28H42F4O2/c1-10-11-16-34-24(9)28(32)27(31)23(8)18(3)13-12-17(2)21(6)25(29)26(30)22(7)19(4)14-15-20(5)33/h17-20,33H,6-16H2,1-5H3/b26-25-,28-27-
InChIKeyDSHCZBVMIZYOEJ-FNBANUKLSA-N
XLogP9.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.63
LogP ≤ 59.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (7Z,15Z)-17-butoxy-7,8,15,16-tetrafluoro-5,10,13-trimethyl-6,9,14-trimethylideneoctadeca-7,15,17-trien-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
(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
(6E)-3-(4,7-dimethyldecan-3-yloxy)-6-(2-ethoxyprop-2-enylidene)-1,2-difluoro-4-methyl-5-methylidenecyclohexa-1,3-diene
CID 143810784
(3Z,11Z)-2-butoxy-13-ethoxy-3,4,11,12-tetrafluoro-6,9-dimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraene
CID 143875231
(3E,11E)-17-(1,1-difluoro-2,5-dimethylhexoxy)-3,11-difluoro-6,9,14-trimethyl-5,10,13-trimethylidene-2-(trifluoromethoxy)octadeca-1,3,11-triene
CID 143908589
(E)-8,18,18-trifluoro-18-[(3E)-4-fluoro-5-(trifluoromethoxy)hexa-1,3-dien-2-yl]oxy-2,5,10,13,14,17-hexamethyl-6,9-dimethylideneoctadec-7-ene
CID 143908644
(3Z,11Z)-2-ethoxy-3,4,11,12-tetrafluoro-6,9,14,17-tetramethyl-5,10,13-trimethylideneoctadeca-1,3,11-triene
CID 143909369
(3Z,6E,15Z)-17-butoxy-2-ethoxy-3,4,15,16-tetrafluoro-6,9,10,13-tetramethyl-5,14-dimethylideneoctadeca-1,3,6,15,17-pentaene
CID 144028457
(3Z,7Z,15Z)-17-butoxy-2-ethoxy-3,4,15,16-tetrafluoro-10,13-dimethyl-5,6,9,14-tetramethylideneoctadeca-1,3,7,15,17-pentaene
CID 144028459
(3Z,15Z)-2-butoxy-17-ethoxy-3,4,15,16-tetrafluoro-6,9,10,13-tetramethyl-5,14-dimethylideneoctadeca-1,3,15,17-tetraene
CID 144028461
(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

Frequently Asked Questions

What is the IUPAC name of (7Z,15Z)-17-butoxy-7,8,15,16-tetrafluoro-5,10,13-trimethyl-6,9,14-trimethylideneoctadeca-7,15,17-trien-2-ol?
The IUPAC name of (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) is (7Z,15Z)-17-butoxy-7,8,15,16-tetrafluoro-5,10,13-trimethyl-6,9,14-trimethylideneoctadeca-7,15,17-trien-2-ol.
What is the SMILES notation for (7Z,15Z)-17-butoxy-7,8,15,16-tetrafluoro-5,10,13-trimethyl-6,9,14-trimethylideneoctadeca-7,15,17-trien-2-ol?
The canonical SMILES for (7Z,15Z)-17-butoxy-7,8,15,16-tetrafluoro-5,10,13-trimethyl-6,9,14-trimethylideneoctadeca-7,15,17-trien-2-ol is C=C(OCCCC)/C(F)=C(/F)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,15Z)-17-butoxy-7,8,15,16-tetrafluoro-5,10,13-trimethyl-6,9,14-trimethylideneoctadeca-7,15,17-trien-2-ol?
The InChIKey is DSHCZBVMIZYOEJ-FNBANUKLSA-N. The full InChI is InChI=1S/C28H42F4O2/c1-10-11-16-34-24(9)28(32)27(31)23(8)18(3)13-12-17(2)21(6)25(29)26(30)22(7)19(4)14-15-20(5)33/h17-20,33H,6-16H2,1-5H3/b26-25-,28-27-.
What are the key properties of (7Z,15Z)-17-butoxy-7,8,15,16-tetrafluoro-5,10,13-trimethyl-6,9,14-trimethylideneoctadeca-7,15,17-trien-2-ol?
(7Z,15Z)-17-butoxy-7,8,15,16-tetrafluoro-5,10,13-trimethyl-6,9,14-trimethylideneoctadeca-7,15,17-trien-2-ol has a molecular weight of 486.63 g/mol, XLogP of 9.14, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z,15Z)-17-butoxy-7,8,15,16-tetrafluoro-5,10,13-trimethyl-6,9,14-trimethylideneoctadeca-7,15,17-trien-2-ol is sourced from PubChem (CID 143909289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).