ethene;(3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-2,14,17-trimethyl-5,6,9,10,13-pentamethylidenenonadeca-1,3,7,11,14-pentaene

C29H36F4 — CID 143772883

IUPACethene;(3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-2,14,17-trimethyl-5,6,9,10,13-pentamethylidenenonadeca-1,3,7,11,14-pentaene
SMILESC=C.C=C(/C=C\C(=C)C(=C)/C(F)=C(\F)C(=C)/C(C)=C/CC(C)CC)C(=C)/C(F)=C(/F)C(=C)C
InChIInChI=1S/C27H32F4.C2H4/c1-11-17(4)12-13-18(5)22(9)26(30)27(31)23(10)20(7)15-14-19(6)21(8)25(29)24(28)16(2)3;1-2/h13-15,17H,2,6-12H2,1,3-5H3;1-2H2/b15-14-,18-13+,25-24-,27-26-;
InChIKeyACVWRWAPIJWGFL-JEOZXFNZSA-N
MW460.60 g/mol
LogP10.39
Rot. Bonds12

About ethene;(3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-2,14,17-trimethyl-5,6,9,10,13-pentamethylidenenonadeca-1,3,7,11,14-pentaene

ethene;(3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-2,14,17-trimethyl-5,6,9,10,13-pentamethylidenenonadeca-1,3,7,11,14-pentaene (PubChem CID 143772883) has the molecular formula C29H36F4 and a molecular weight of 460.60 g/mol. Its IUPAC name is ethene;(3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-2,14,17-trimethyl-5,6,9,10,13-pentamethylidenenonadeca-1,3,7,11,14-pentaene.

Molecular Properties

Compound Nameethene;(3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-2,14,17-trimethyl-5,6,9,10,13-pentamethylidenenonadeca-1,3,7,11,14-pentaene
PubChem CID143772883
Molecular FormulaC29H36F4
Molecular Weight460.60 g/mol
Exact Mass460.28
IUPAC Nameethene;(3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-2,14,17-trimethyl-5,6,9,10,13-pentamethylidenenonadeca-1,3,7,11,14-pentaene
SMILESC=C.C=C(/C=C\C(=C)C(=C)/C(F)=C(\F)C(=C)/C(C)=C/CC(C)CC)C(=C)/C(F)=C(/F)C(=C)C
InChIInChI=1S/C27H32F4.C2H4/c1-11-17(4)12-13-18(5)22(9)26(30)27(31)23(10)20(7)15-14-19(6)21(8)25(29)24(28)16(2)3;1-2/h13-15,17H,2,6-12H2,1,3-5H3;1-2H2/b15-14-,18-13+,25-24-,27-26-;
InChIKeyACVWRWAPIJWGFL-JEOZXFNZSA-N
XLogP10.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.60
LogP ≤ 510.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze ethene;(3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-2,14,17-trimethyl-5,6,9,10,13-pentamethylidenenonadeca-1,3,7,11,14-pentaene with MolForge

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Related Compounds

(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
(E)-2-fluoro-5-methylhept-2-ene
CID 89043043
(3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-14,17,18,21-tetramethyl-5,6,9,10,13-pentamethylidene-2-propoxydocosa-1,3,7,11,14-pentaene
CID 143772553
(4Z,8Z,12Z)-8,9-difluoro-3,6,7,10,11,14-hexamethylidenehexadeca-4,8,12-triene;ethane
CID 144604196
(3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-14,17,18,21-tetramethyl-5,6,9,10,13-pentamethylidene-2-pent-4-enoxydocosa-1,3,7,11,14-pentaene
CID 143772796
2,5-dimethylhept-2-enamide
CID 140547183
2,5-dimethylhept-2-ene;ethane
CID 144650208
(3Z,7Z,11E)-3,4,11-trifluoro-14-(2-methylbutoxy)-5,6,9,10,13-pentamethylidene-2-propoxypentadeca-1,3,7,11-tetraene
CID 143773052
(E)-2,5-dimethylhept-2-en-1-ol
CID 88722720
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
(Z)-4,7-dimethylnon-4-ene
CID 143531390
(3E)-N,3,6-trimethylnona-1,3-dien-2-amine
CID 139564567

Frequently Asked Questions

What is the IUPAC name of ethene;(3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-2,14,17-trimethyl-5,6,9,10,13-pentamethylidenenonadeca-1,3,7,11,14-pentaene?
The IUPAC name of ethene;(3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-2,14,17-trimethyl-5,6,9,10,13-pentamethylidenenonadeca-1,3,7,11,14-pentaene (CID 143772883) is ethene;(3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-2,14,17-trimethyl-5,6,9,10,13-pentamethylidenenonadeca-1,3,7,11,14-pentaene.
What is the SMILES notation for ethene;(3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-2,14,17-trimethyl-5,6,9,10,13-pentamethylidenenonadeca-1,3,7,11,14-pentaene?
The canonical SMILES for ethene;(3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-2,14,17-trimethyl-5,6,9,10,13-pentamethylidenenonadeca-1,3,7,11,14-pentaene is C=C.C=C(/C=C\C(=C)C(=C)/C(F)=C(\F)C(=C)/C(C)=C/CC(C)CC)C(=C)/C(F)=C(/F)C(=C)C.
What is the InChIKey of ethene;(3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-2,14,17-trimethyl-5,6,9,10,13-pentamethylidenenonadeca-1,3,7,11,14-pentaene?
The InChIKey is ACVWRWAPIJWGFL-JEOZXFNZSA-N. The full InChI is InChI=1S/C27H32F4.C2H4/c1-11-17(4)12-13-18(5)22(9)26(30)27(31)23(10)20(7)15-14-19(6)21(8)25(29)24(28)16(2)3;1-2/h13-15,17H,2,6-12H2,1,3-5H3;1-2H2/b15-14-,18-13+,25-24-,27-26-;.
What are the key properties of ethene;(3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-2,14,17-trimethyl-5,6,9,10,13-pentamethylidenenonadeca-1,3,7,11,14-pentaene?
ethene;(3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-2,14,17-trimethyl-5,6,9,10,13-pentamethylidenenonadeca-1,3,7,11,14-pentaene has a molecular weight of 460.60 g/mol, XLogP of 10.39, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;(3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-2,14,17-trimethyl-5,6,9,10,13-pentamethylidenenonadeca-1,3,7,11,14-pentaene is sourced from PubChem (CID 143772883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).