(4Z,8Z,12Z)-8,9-difluoro-3,6,7,10,11,14-hexamethylidenehexadeca-4,8,12-triene;ethane

C24H32F2 — CID 144604196

IUPAC(4Z,8Z,12Z)-8,9-difluoro-3,6,7,10,11,14-hexamethylidenehexadeca-4,8,12-triene;ethane
SMILESC=C(/C=C\C(=C)C(=C)/C(F)=C(/F)C(=C)C(=C)/C=C\C(=C)CC)CC.CC
InChIInChI=1S/C22H26F2.C2H6/c1-9-15(3)11-13-17(5)19(7)21(23)22(24)20(8)18(6)14-12-16(4)10-2;1-2/h11-14H,3-10H2,1-2H3;1-2H3/b13-11-,14-12-,22-21-;
InChIKeyJXXQWHBJABSKOU-VDCABROSSA-N
MW358.52 g/mol
LogP8.43
Rot. Bonds10

About (4Z,8Z,12Z)-8,9-difluoro-3,6,7,10,11,14-hexamethylidenehexadeca-4,8,12-triene;ethane

(4Z,8Z,12Z)-8,9-difluoro-3,6,7,10,11,14-hexamethylidenehexadeca-4,8,12-triene;ethane (PubChem CID 144604196) has the molecular formula C24H32F2 and a molecular weight of 358.52 g/mol. Its IUPAC name is (4Z,8Z,12Z)-8,9-difluoro-3,6,7,10,11,14-hexamethylidenehexadeca-4,8,12-triene;ethane.

Molecular Properties

Compound Name(4Z,8Z,12Z)-8,9-difluoro-3,6,7,10,11,14-hexamethylidenehexadeca-4,8,12-triene;ethane
PubChem CID144604196
Molecular FormulaC24H32F2
Molecular Weight358.52 g/mol
Exact Mass358.25
IUPAC Name(4Z,8Z,12Z)-8,9-difluoro-3,6,7,10,11,14-hexamethylidenehexadeca-4,8,12-triene;ethane
SMILESC=C(/C=C\C(=C)C(=C)/C(F)=C(/F)C(=C)C(=C)/C=C\C(=C)CC)CC.CC
InChIInChI=1S/C22H26F2.C2H6/c1-9-15(3)11-13-17(5)19(7)21(23)22(24)20(8)18(6)14-12-16(4)10-2;1-2/h11-14H,3-10H2,1-2H3;1-2H3/b13-11-,14-12-,22-21-;
InChIKeyJXXQWHBJABSKOU-VDCABROSSA-N
XLogP8.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.52
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-2-fluoro-3,4,7-trimethylidenenona-1,5-diene;hydrofluoride
CID 143773200
prop-1-ene;(4Z,8Z)-3,6,7,10-tetramethylidenedodeca-4,8-diene
CID 144612607
(3Z,7E)-7-fluoro-5,6,9-trimethylideneundeca-1,3,7-trien-2-ol
CID 145234991
(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;propane
CID 144723415
propane;(3Z,7Z)-5,6,9-trimethylideneundeca-1,3,7-trien-2-ol
CID 142281411
ethene;(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene
CID 145059823
(3Z,7Z,11Z)-7,8-difluoro-2,5,6,9,10-pentamethylidenetetradeca-3,7,11,13-tetraen-1-ol
CID 144676255
2-bromo-5-methylidenehepta-1,3-diene
CID 123950056
5-methylidene-2-(trifluoromethyl)hepta-1,3-diene
CID 91256552
(3E,7Z)-4-(methoxymethyl)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene
CID 145122159
(3E,7Z)-5,6,9-trimethylidene-3-(trifluoromethyl)undeca-1,3,7-triene
CID 145480576
(4Z,8Z,12Z)-8-ethyl-3,6,7,10,11,14-hexamethylidenehexadeca-4,8,12-triene;N-methyl-N-methylsulfanylmethanamine;propane
CID 145235020

Frequently Asked Questions

What is the IUPAC name of (4Z,8Z,12Z)-8,9-difluoro-3,6,7,10,11,14-hexamethylidenehexadeca-4,8,12-triene;ethane?
The IUPAC name of (4Z,8Z,12Z)-8,9-difluoro-3,6,7,10,11,14-hexamethylidenehexadeca-4,8,12-triene;ethane (CID 144604196) is (4Z,8Z,12Z)-8,9-difluoro-3,6,7,10,11,14-hexamethylidenehexadeca-4,8,12-triene;ethane.
What is the SMILES notation for (4Z,8Z,12Z)-8,9-difluoro-3,6,7,10,11,14-hexamethylidenehexadeca-4,8,12-triene;ethane?
The canonical SMILES for (4Z,8Z,12Z)-8,9-difluoro-3,6,7,10,11,14-hexamethylidenehexadeca-4,8,12-triene;ethane is C=C(/C=C\C(=C)C(=C)/C(F)=C(/F)C(=C)C(=C)/C=C\C(=C)CC)CC.CC.
What is the InChIKey of (4Z,8Z,12Z)-8,9-difluoro-3,6,7,10,11,14-hexamethylidenehexadeca-4,8,12-triene;ethane?
The InChIKey is JXXQWHBJABSKOU-VDCABROSSA-N. The full InChI is InChI=1S/C22H26F2.C2H6/c1-9-15(3)11-13-17(5)19(7)21(23)22(24)20(8)18(6)14-12-16(4)10-2;1-2/h11-14H,3-10H2,1-2H3;1-2H3/b13-11-,14-12-,22-21-;.
What are the key properties of (4Z,8Z,12Z)-8,9-difluoro-3,6,7,10,11,14-hexamethylidenehexadeca-4,8,12-triene;ethane?
(4Z,8Z,12Z)-8,9-difluoro-3,6,7,10,11,14-hexamethylidenehexadeca-4,8,12-triene;ethane has a molecular weight of 358.52 g/mol, XLogP of 8.43, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,8Z,12Z)-8,9-difluoro-3,6,7,10,11,14-hexamethylidenehexadeca-4,8,12-triene;ethane is sourced from PubChem (CID 144604196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).