(E)-5-fluoro-4,7,10-trimethyl-3,6-dimethylidenetridec-4-ene;propane

C21H39F — CID 145312710

IUPAC(E)-5-fluoro-4,7,10-trimethyl-3,6-dimethylidenetridec-4-ene;propane
SMILESC=C(CC)/C(C)=C(/F)C(=C)C(C)CCC(C)CCC.CCC
InChIInChI=1S/C18H31F.C3H8/c1-8-10-13(3)11-12-15(5)17(7)18(19)16(6)14(4)9-2;1-3-2/h13,15H,4,7-12H2,1-3,5-6H3;3H2,1-2H3/b18-16+;
InChIKeyAUBHQXGHCXOAHI-HYNBPGMHSA-N
MW310.54 g/mol
LogP8.02
Rot. Bonds9

About (E)-5-fluoro-4,7,10-trimethyl-3,6-dimethylidenetridec-4-ene;propane

(E)-5-fluoro-4,7,10-trimethyl-3,6-dimethylidenetridec-4-ene;propane (PubChem CID 145312710) has the molecular formula C21H39F and a molecular weight of 310.54 g/mol. Its IUPAC name is (E)-5-fluoro-4,7,10-trimethyl-3,6-dimethylidenetridec-4-ene;propane.

Molecular Properties

Compound Name(E)-5-fluoro-4,7,10-trimethyl-3,6-dimethylidenetridec-4-ene;propane
PubChem CID145312710
Molecular FormulaC21H39F
Molecular Weight310.54 g/mol
Exact Mass310.30
IUPAC Name(E)-5-fluoro-4,7,10-trimethyl-3,6-dimethylidenetridec-4-ene;propane
SMILESC=C(CC)/C(C)=C(/F)C(=C)C(C)CCC(C)CCC.CCC
InChIInChI=1S/C18H31F.C3H8/c1-8-10-13(3)11-12-15(5)17(7)18(19)16(6)14(4)9-2;1-3-2/h13,15H,4,7-12H2,1-3,5-6H3;3H2,1-2H3/b18-16+;
InChIKeyAUBHQXGHCXOAHI-HYNBPGMHSA-N
XLogP8.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.54
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (E)-5-fluoro-4,7,10-trimethyl-3,6-dimethylidenetridec-4-ene;propane with MolForge

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Related Compounds

4-methylheptane;propane
CID 142171269
4,10-dimethyltridecan-7-ol
CID 10633137
(3Z,11Z)-2-ethoxy-3,4,11,12-tetrafluoro-6,9,13-trimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraene
CID 143875087
(Z)-7,8-difluoro-2,5,10,13,14,17-hexamethyl-6,9-dimethylideneoctadec-7-ene
CID 143777022
4-methylheptane
CID 91413347
4-methylheptane
CID 11512
3-methylhexane;2-methylprop-1-ene
CID 165405684
5-methyl-6,7-dimethylidenenon-1-ene
CID 142109737
(3R,6R)-3,6-dimethylnonane
CID 170848352
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
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
2,3,6,7,10-pentamethyldodec-1-ene;propane
CID 145235190

Frequently Asked Questions

What is the IUPAC name of (E)-5-fluoro-4,7,10-trimethyl-3,6-dimethylidenetridec-4-ene;propane?
The IUPAC name of (E)-5-fluoro-4,7,10-trimethyl-3,6-dimethylidenetridec-4-ene;propane (CID 145312710) is (E)-5-fluoro-4,7,10-trimethyl-3,6-dimethylidenetridec-4-ene;propane.
What is the SMILES notation for (E)-5-fluoro-4,7,10-trimethyl-3,6-dimethylidenetridec-4-ene;propane?
The canonical SMILES for (E)-5-fluoro-4,7,10-trimethyl-3,6-dimethylidenetridec-4-ene;propane is C=C(CC)/C(C)=C(/F)C(=C)C(C)CCC(C)CCC.CCC.
What is the InChIKey of (E)-5-fluoro-4,7,10-trimethyl-3,6-dimethylidenetridec-4-ene;propane?
The InChIKey is AUBHQXGHCXOAHI-HYNBPGMHSA-N. The full InChI is InChI=1S/C18H31F.C3H8/c1-8-10-13(3)11-12-15(5)17(7)18(19)16(6)14(4)9-2;1-3-2/h13,15H,4,7-12H2,1-3,5-6H3;3H2,1-2H3/b18-16+;.
What are the key properties of (E)-5-fluoro-4,7,10-trimethyl-3,6-dimethylidenetridec-4-ene;propane?
(E)-5-fluoro-4,7,10-trimethyl-3,6-dimethylidenetridec-4-ene;propane has a molecular weight of 310.54 g/mol, XLogP of 8.02, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-fluoro-4,7,10-trimethyl-3,6-dimethylidenetridec-4-ene;propane is sourced from PubChem (CID 145312710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).