1-(2,2-difluoro-3-hexyl-1-trimethylsilylcyclopropyl)ethyl acetate

C16H30F2O2Si — CID 100980859

IUPAC1-(2,2-difluoro-3-hexyl-1-trimethylsilylcyclopropyl)ethyl acetate
SMILESCCCCCCC1C(F)(F)C1(C(C)OC(C)=O)[Si](C)(C)C
InChIInChI=1S/C16H30F2O2Si/c1-7-8-9-10-11-14-15(16(14,17)18,21(4,5)6)12(2)20-13(3)19/h12,14H,7-11H2,1-6H3
InChIKeyUZCPUFZLTTXAHT-UHFFFAOYSA-N
MW320.50 g/mol
LogP5.25
Rot. Bonds8

About 1-(2,2-difluoro-3-hexyl-1-trimethylsilylcyclopropyl)ethyl acetate

1-(2,2-difluoro-3-hexyl-1-trimethylsilylcyclopropyl)ethyl acetate (PubChem CID 100980859) has the molecular formula C16H30F2O2Si and a molecular weight of 320.50 g/mol. Its IUPAC name is 1-(2,2-difluoro-3-hexyl-1-trimethylsilylcyclopropyl)ethyl acetate.

Molecular Properties

Compound Name1-(2,2-difluoro-3-hexyl-1-trimethylsilylcyclopropyl)ethyl acetate
PubChem CID100980859
Molecular FormulaC16H30F2O2Si
Molecular Weight320.50 g/mol
Exact Mass320.20
IUPAC Name1-(2,2-difluoro-3-hexyl-1-trimethylsilylcyclopropyl)ethyl acetate
SMILESCCCCCCC1C(F)(F)C1(C(C)OC(C)=O)[Si](C)(C)C
InChIInChI=1S/C16H30F2O2Si/c1-7-8-9-10-11-14-15(16(14,17)18,21(4,5)6)12(2)20-13(3)19/h12,14H,7-11H2,1-6H3
InChIKeyUZCPUFZLTTXAHT-UHFFFAOYSA-N
XLogP5.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.50
LogP ≤ 55.25
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoro-3-hexyl-1-trimethylsilylcyclopropyl)ethyl acetate?
The IUPAC name of 1-(2,2-difluoro-3-hexyl-1-trimethylsilylcyclopropyl)ethyl acetate (CID 100980859) is 1-(2,2-difluoro-3-hexyl-1-trimethylsilylcyclopropyl)ethyl acetate.
What is the SMILES notation for 1-(2,2-difluoro-3-hexyl-1-trimethylsilylcyclopropyl)ethyl acetate?
The canonical SMILES for 1-(2,2-difluoro-3-hexyl-1-trimethylsilylcyclopropyl)ethyl acetate is CCCCCCC1C(F)(F)C1(C(C)OC(C)=O)[Si](C)(C)C.
What is the InChIKey of 1-(2,2-difluoro-3-hexyl-1-trimethylsilylcyclopropyl)ethyl acetate?
The InChIKey is UZCPUFZLTTXAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30F2O2Si/c1-7-8-9-10-11-14-15(16(14,17)18,21(4,5)6)12(2)20-13(3)19/h12,14H,7-11H2,1-6H3.
What are the key properties of 1-(2,2-difluoro-3-hexyl-1-trimethylsilylcyclopropyl)ethyl acetate?
1-(2,2-difluoro-3-hexyl-1-trimethylsilylcyclopropyl)ethyl acetate has a molecular weight of 320.50 g/mol, XLogP of 5.25, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoro-3-hexyl-1-trimethylsilylcyclopropyl)ethyl acetate is sourced from PubChem (CID 100980859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).