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

C27H38F4O2 — CID 143909089

IUPACethene;(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
SMILESC=C.C=C(OC)/C(F)=C(/F)C(=C)C(C)CCC(C)C(=C)/C(F)=C(/F)C(=C)/C(C)=C/CC(C)O
InChIInChI=1S/C25H34F4O2.C2H4/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;1-2/h12,14-15,17,30H,5-8,10-11,13H2,1-4,9H3;1-2H2/b16-12+,23-22-,25-24-;
InChIKeyASADYPBQRQOKNO-XPQLMBNPSA-N
MW470.59 g/mol
LogP8.69
Rot. Bonds13

About 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

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 (PubChem CID 143909089) has the molecular formula C27H38F4O2 and a molecular weight of 470.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameethene;(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
PubChem CID143909089
Molecular FormulaC27H38F4O2
Molecular Weight470.59 g/mol
Exact Mass470.28
IUPAC Nameethene;(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
SMILESC=C.C=C(OC)/C(F)=C(/F)C(=C)C(C)CCC(C)C(=C)/C(F)=C(/F)C(=C)/C(C)=C/CC(C)O
InChIInChI=1S/C25H34F4O2.C2H4/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;1-2/h12,14-15,17,30H,5-8,10-11,13H2,1-4,9H3;1-2H2/b16-12+,23-22-,25-24-;
InChIKeyASADYPBQRQOKNO-XPQLMBNPSA-N
XLogP8.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.59
LogP ≤ 58.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

(7Z,15E)-7,8,16-trifluoro-17-methoxy-5,10,13-trimethyl-6,9,14-trimethylideneoctadeca-7,15,17-trien-2-ol
CID 143909116
(3E,11Z)-4,11,12-trifluoro-13-methoxy-6,9-dimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraen-2-ol
CID 143875384
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
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
(3Z,11Z)-2-ethoxy-3,4,11,12-tetrafluoro-6,9,13-trimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraene
CID 143875087
(3Z,7Z)-3,4-difluoro-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene
CID 176948900
1-[(8Z)-8,9-difluoro-10-methoxy-3,6-dimethyl-7-methylideneundeca-8,10-dienyl]-2,3-difluoro-4-methoxybenzene
CID 143875352
4-[(8Z)-8,9-difluoro-10-methoxy-3,6-dimethyl-7-methylideneundeca-8,10-dienyl]-3-fluorophenol;prop-1-ene
CID 143875248
(3Z)-7-butan-2-yloxy-3,4-difluoro-2-methoxy-6-methyl-5-methylidenehepta-1,3-diene;propane
CID 145298574
but-1-ene;(4E)-5,6-dimethylhepta-4,6-dien-2-ol
CID 142868240
(3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-propoxyoctadeca-1,3,7,11,14-pentaene
CID 143772841
(Z)-7,8-difluoro-2,5,10,13,14,17-hexamethyl-6,9-dimethylideneoctadec-7-ene
CID 143777022

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C.C=C(OC)/C(F)=C(/F)C(=C)C(C)CCC(C)C(=C)/C(F)=C(/F)C(=C)/C(C)=C/CC(C)O.
What is the InChIKey of 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?
The InChIKey is ASADYPBQRQOKNO-XPQLMBNPSA-N. The full InChI is InChI=1S/C25H34F4O2.C2H4/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;1-2/h12,14-15,17,30H,5-8,10-11,13H2,1-4,9H3;1-2H2/b16-12+,23-22-,25-24-;.
What are the key properties of 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?
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 has a molecular weight of 470.59 g/mol, XLogP of 8.69, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 143909089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).