[4-fluoro-1-[2-[(Z)-hept-2-enyl]-5-methyl-3-oxocyclopentyl]octan-3-yl]oxy-dimethylsilanylium

C23H44FO2Si+ — CID 91072701

IUPAC[4-fluoro-1-[2-[(Z)-hept-2-enyl]-5-methyl-3-oxocyclopentyl]octan-3-yl]oxy-dimethylsilanylium
SMILESCCCC/C=C\CC1C(=O)CC(C)C1CCC(O[SiH2+](C)C)C(F)CCCC
InChIInChI=1S/C23H44FO2Si/c1-6-8-10-11-12-13-20-19(18(3)17-22(20)25)15-16-23(26-27(4)5)21(24)14-9-7-2/h11-12,18-21,23H,6-10,13-17,27H2,1-5H3/q+1/b12-11-
InChIKeyREIZQPNNQKOLTQ-QXMHVHEDSA-N
MW399.69 g/mol
LogP6.37
Rot. Bonds14

About [4-fluoro-1-[2-[(Z)-hept-2-enyl]-5-methyl-3-oxocyclopentyl]octan-3-yl]oxy-dimethylsilanylium

[4-fluoro-1-[2-[(Z)-hept-2-enyl]-5-methyl-3-oxocyclopentyl]octan-3-yl]oxy-dimethylsilanylium (PubChem CID 91072701) has the molecular formula C23H44FO2Si+ and a molecular weight of 399.69 g/mol. Its IUPAC name is [4-fluoro-1-[2-[(Z)-hept-2-enyl]-5-methyl-3-oxocyclopentyl]octan-3-yl]oxy-dimethylsilanylium.

Molecular Properties

Compound Name[4-fluoro-1-[2-[(Z)-hept-2-enyl]-5-methyl-3-oxocyclopentyl]octan-3-yl]oxy-dimethylsilanylium
PubChem CID91072701
Molecular FormulaC23H44FO2Si+
Molecular Weight399.69 g/mol
Exact Mass399.31
IUPAC Name[4-fluoro-1-[2-[(Z)-hept-2-enyl]-5-methyl-3-oxocyclopentyl]octan-3-yl]oxy-dimethylsilanylium
SMILESCCCC/C=C\CC1C(=O)CC(C)C1CCC(O[SiH2+](C)C)C(F)CCCC
InChIInChI=1S/C23H44FO2Si/c1-6-8-10-11-12-13-20-19(18(3)17-22(20)25)15-16-23(26-27(4)5)21(24)14-9-7-2/h11-12,18-21,23H,6-10,13-17,27H2,1-5H3/q+1/b12-11-
InChIKeyREIZQPNNQKOLTQ-QXMHVHEDSA-N
XLogP6.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.69
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-fluoro-1-[2-[(Z)-hept-2-enyl]-5-methyl-3-oxocyclopentyl]octan-3-yl]oxy-dimethylsilanylium?
The IUPAC name of [4-fluoro-1-[2-[(Z)-hept-2-enyl]-5-methyl-3-oxocyclopentyl]octan-3-yl]oxy-dimethylsilanylium (CID 91072701) is [4-fluoro-1-[2-[(Z)-hept-2-enyl]-5-methyl-3-oxocyclopentyl]octan-3-yl]oxy-dimethylsilanylium.
What is the SMILES notation for [4-fluoro-1-[2-[(Z)-hept-2-enyl]-5-methyl-3-oxocyclopentyl]octan-3-yl]oxy-dimethylsilanylium?
The canonical SMILES for [4-fluoro-1-[2-[(Z)-hept-2-enyl]-5-methyl-3-oxocyclopentyl]octan-3-yl]oxy-dimethylsilanylium is CCCC/C=C\CC1C(=O)CC(C)C1CCC(O[SiH2+](C)C)C(F)CCCC.
What is the InChIKey of [4-fluoro-1-[2-[(Z)-hept-2-enyl]-5-methyl-3-oxocyclopentyl]octan-3-yl]oxy-dimethylsilanylium?
The InChIKey is REIZQPNNQKOLTQ-QXMHVHEDSA-N. The full InChI is InChI=1S/C23H44FO2Si/c1-6-8-10-11-12-13-20-19(18(3)17-22(20)25)15-16-23(26-27(4)5)21(24)14-9-7-2/h11-12,18-21,23H,6-10,13-17,27H2,1-5H3/q+1/b12-11-.
What are the key properties of [4-fluoro-1-[2-[(Z)-hept-2-enyl]-5-methyl-3-oxocyclopentyl]octan-3-yl]oxy-dimethylsilanylium?
[4-fluoro-1-[2-[(Z)-hept-2-enyl]-5-methyl-3-oxocyclopentyl]octan-3-yl]oxy-dimethylsilanylium has a molecular weight of 399.69 g/mol, XLogP of 6.37, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-1-[2-[(Z)-hept-2-enyl]-5-methyl-3-oxocyclopentyl]octan-3-yl]oxy-dimethylsilanylium is sourced from PubChem (CID 91072701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).