(1Z)-1-[(Z,3S)-7-cycloprop-2-en-1-yl-3-ethenyl-7-ethyl-9-fluoro-5,5,6-trimethylnon-8-enylidene]-2-propylcyclopropane

C25H39F — CID 126702614

IUPAC(1Z)-1-[(Z,3S)-7-cycloprop-2-en-1-yl-3-ethenyl-7-ethyl-9-fluoro-5,5,6-trimethylnon-8-enylidene]-2-propylcyclopropane
SMILESC=C[C@@H](C/C=C1/CC1CCC)CC(C)(C)C(C)C(/C=C\F)(CC)C1C=C1
InChIInChI=1S/C25H39F/c1-7-10-21-17-22(21)12-11-20(8-2)18-24(5,6)19(4)25(9-3,15-16-26)23-13-14-23/h8,12-16,19-21,23H,2,7,9-11,17-18H2,1,3-6H3/b16-15-,22-12-/t19?,20-,21?,25?/m0/s1
InChIKeyBLEXFPNBBPVWCQ-BLEMRBICSA-N
MW358.59 g/mol
LogP8.04
Rot. Bonds12

About (1Z)-1-[(Z,3S)-7-cycloprop-2-en-1-yl-3-ethenyl-7-ethyl-9-fluoro-5,5,6-trimethylnon-8-enylidene]-2-propylcyclopropane

(1Z)-1-[(Z,3S)-7-cycloprop-2-en-1-yl-3-ethenyl-7-ethyl-9-fluoro-5,5,6-trimethylnon-8-enylidene]-2-propylcyclopropane (PubChem CID 126702614) has the molecular formula C25H39F and a molecular weight of 358.59 g/mol. Its IUPAC name is (1Z)-1-[(Z,3S)-7-cycloprop-2-en-1-yl-3-ethenyl-7-ethyl-9-fluoro-5,5,6-trimethylnon-8-enylidene]-2-propylcyclopropane.

Molecular Properties

Compound Name(1Z)-1-[(Z,3S)-7-cycloprop-2-en-1-yl-3-ethenyl-7-ethyl-9-fluoro-5,5,6-trimethylnon-8-enylidene]-2-propylcyclopropane
PubChem CID126702614
Molecular FormulaC25H39F
Molecular Weight358.59 g/mol
Exact Mass358.30
IUPAC Name(1Z)-1-[(Z,3S)-7-cycloprop-2-en-1-yl-3-ethenyl-7-ethyl-9-fluoro-5,5,6-trimethylnon-8-enylidene]-2-propylcyclopropane
SMILESC=C[C@@H](C/C=C1/CC1CCC)CC(C)(C)C(C)C(/C=C\F)(CC)C1C=C1
InChIInChI=1S/C25H39F/c1-7-10-21-17-22(21)12-11-20(8-2)18-24(5,6)19(4)25(9-3,15-16-26)23-13-14-23/h8,12-16,19-21,23H,2,7,9-11,17-18H2,1,3-6H3/b16-15-,22-12-/t19?,20-,21?,25?/m0/s1
InChIKeyBLEXFPNBBPVWCQ-BLEMRBICSA-N
XLogP8.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.59
LogP ≤ 58.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z)-1-[(Z,3S)-7-cycloprop-2-en-1-yl-3-ethenyl-7-ethyl-9-fluoro-5,5,6-trimethylnon-8-enylidene]-2-propylcyclopropane?
The IUPAC name of (1Z)-1-[(Z,3S)-7-cycloprop-2-en-1-yl-3-ethenyl-7-ethyl-9-fluoro-5,5,6-trimethylnon-8-enylidene]-2-propylcyclopropane (CID 126702614) is (1Z)-1-[(Z,3S)-7-cycloprop-2-en-1-yl-3-ethenyl-7-ethyl-9-fluoro-5,5,6-trimethylnon-8-enylidene]-2-propylcyclopropane.
What is the SMILES notation for (1Z)-1-[(Z,3S)-7-cycloprop-2-en-1-yl-3-ethenyl-7-ethyl-9-fluoro-5,5,6-trimethylnon-8-enylidene]-2-propylcyclopropane?
The canonical SMILES for (1Z)-1-[(Z,3S)-7-cycloprop-2-en-1-yl-3-ethenyl-7-ethyl-9-fluoro-5,5,6-trimethylnon-8-enylidene]-2-propylcyclopropane is C=C[C@@H](C/C=C1/CC1CCC)CC(C)(C)C(C)C(/C=C\F)(CC)C1C=C1.
What is the InChIKey of (1Z)-1-[(Z,3S)-7-cycloprop-2-en-1-yl-3-ethenyl-7-ethyl-9-fluoro-5,5,6-trimethylnon-8-enylidene]-2-propylcyclopropane?
The InChIKey is BLEXFPNBBPVWCQ-BLEMRBICSA-N. The full InChI is InChI=1S/C25H39F/c1-7-10-21-17-22(21)12-11-20(8-2)18-24(5,6)19(4)25(9-3,15-16-26)23-13-14-23/h8,12-16,19-21,23H,2,7,9-11,17-18H2,1,3-6H3/b16-15-,22-12-/t19?,20-,21?,25?/m0/s1.
What are the key properties of (1Z)-1-[(Z,3S)-7-cycloprop-2-en-1-yl-3-ethenyl-7-ethyl-9-fluoro-5,5,6-trimethylnon-8-enylidene]-2-propylcyclopropane?
(1Z)-1-[(Z,3S)-7-cycloprop-2-en-1-yl-3-ethenyl-7-ethyl-9-fluoro-5,5,6-trimethylnon-8-enylidene]-2-propylcyclopropane has a molecular weight of 358.59 g/mol, XLogP of 8.04, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-[(Z,3S)-7-cycloprop-2-en-1-yl-3-ethenyl-7-ethyl-9-fluoro-5,5,6-trimethylnon-8-enylidene]-2-propylcyclopropane is sourced from PubChem (CID 126702614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).