5-(1-Fluoropropylidene)-3,4,4,6,6,7-hexamethylnonane

C18H35F — CID 166942042

IUPAC5-(1-fluoropropylidene)-3,4,4,6,6,7-hexamethylnonane
SMILESCCC(C)C(C)(C)C(=C(CC)F)C(C)(C)C(C)CC
InChIInChI=1S/C18H35F/c1-10-13(4)17(6,7)16(15(19)12-3)18(8,9)14(5)11-2/h13-14H,10-12H2,1-9H3
InChIKeyJTAILZNCDVIFSS-UHFFFAOYSA-N
MW270.50 g/mol
LogP7.90
Rot. Bonds7

About 5-(1-Fluoropropylidene)-3,4,4,6,6,7-hexamethylnonane

5-(1-Fluoropropylidene)-3,4,4,6,6,7-hexamethylnonane (PubChem CID 166942042) has the molecular formula C18H35F and a molecular weight of 270.50 g/mol. Its IUPAC name is 5-(1-fluoropropylidene)-3,4,4,6,6,7-hexamethylnonane.

Molecular Properties

Compound Name5-(1-Fluoropropylidene)-3,4,4,6,6,7-hexamethylnonane
PubChem CID166942042
Molecular FormulaC18H35F
Molecular Weight270.50 g/mol
Exact Mass270.27
IUPAC Name5-(1-fluoropropylidene)-3,4,4,6,6,7-hexamethylnonane
SMILESCCC(C)C(C)(C)C(=C(CC)F)C(C)(C)C(C)CC
InChIInChI=1S/C18H35F/c1-10-13(4)17(6,7)16(15(19)12-3)18(8,9)14(5)11-2/h13-14H,10-12H2,1-9H3
InChIKeyJTAILZNCDVIFSS-UHFFFAOYSA-N
XLogP7.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity286

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.50
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Fusicocca-2,10(14)-diene
CID 10659816
(1R,7E,11Z)-(-)-verticilla-4(20),7,11-triene
CID 15939524
Fusicoccadiene
CID 91747810
Verticilla-3,7,12(13)-triene
CID 101382707
6-Tridecene, 2,2,4,10,12,12-hexamethyl-7-(3,5,5-trimethylhexyl)-
CID 298065
Talaropentaene
CID 165368628
Sobralene
CID 171037428
4,8,11,12,15-Pentamethylbicyclo[9.3.1]pentadeca-1(14),3,7-triene
CID 73097387
4,8,12,15,15-Pentamethylbicyclo[9.3.1]pentadeca-3,7,12-triene
CID 73115868
4,14,15,15-Tetramethyl-8-methylidenebicyclo[9.3.1]pentadeca-1(14),4-diene
CID 73200960
(4E,8E,11S)-4,8,14,15,15-pentamethylbicyclo[9.3.1]pentadeca-1(14),4,8-triene
CID 135082972
CID 139588284
CID 139588284

Frequently Asked Questions

What is the IUPAC name of 5-(1-Fluoropropylidene)-3,4,4,6,6,7-hexamethylnonane?
The IUPAC name of 5-(1-Fluoropropylidene)-3,4,4,6,6,7-hexamethylnonane (CID 166942042) is 5-(1-fluoropropylidene)-3,4,4,6,6,7-hexamethylnonane.
What is the SMILES notation for 5-(1-Fluoropropylidene)-3,4,4,6,6,7-hexamethylnonane?
The canonical SMILES for 5-(1-Fluoropropylidene)-3,4,4,6,6,7-hexamethylnonane is CCC(C)C(C)(C)C(=C(CC)F)C(C)(C)C(C)CC.
What is the InChIKey of 5-(1-Fluoropropylidene)-3,4,4,6,6,7-hexamethylnonane?
The InChIKey is JTAILZNCDVIFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35F/c1-10-13(4)17(6,7)16(15(19)12-3)18(8,9)14(5)11-2/h13-14H,10-12H2,1-9H3.
What are the key properties of 5-(1-Fluoropropylidene)-3,4,4,6,6,7-hexamethylnonane?
5-(1-Fluoropropylidene)-3,4,4,6,6,7-hexamethylnonane has a molecular weight of 270.50 g/mol, XLogP of 7.90, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-Fluoropropylidene)-3,4,4,6,6,7-hexamethylnonane is sourced from PubChem (CID 166942042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).