tert-butyl-(4,4-difluoro-3-propylcyclopenten-1-yl)oxy-dimethylsilane

C14H26F2OSi — CID 122389927

IUPACtert-butyl-(4,4-difluoro-3-propylcyclopenten-1-yl)oxy-dimethylsilane
SMILESCCCC1C=C(O[Si](C)(C)C(C)(C)C)CC1(F)F
InChIInChI=1S/C14H26F2OSi/c1-7-8-11-9-12(10-14(11,15)16)17-18(5,6)13(2,3)4/h9,11H,7-8,10H2,1-6H3
InChIKeyDPSDMNDVAYQVHV-UHFFFAOYSA-N
MW276.44 g/mol
LogP5.35
Rot. Bonds4

About tert-butyl-(4,4-difluoro-3-propylcyclopenten-1-yl)oxy-dimethylsilane

tert-butyl-(4,4-difluoro-3-propylcyclopenten-1-yl)oxy-dimethylsilane (PubChem CID 122389927) has the molecular formula C14H26F2OSi and a molecular weight of 276.44 g/mol. Its IUPAC name is tert-butyl-(4,4-difluoro-3-propylcyclopenten-1-yl)oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(4,4-difluoro-3-propylcyclopenten-1-yl)oxy-dimethylsilane
PubChem CID122389927
Molecular FormulaC14H26F2OSi
Molecular Weight276.44 g/mol
Exact Mass276.17
IUPAC Nametert-butyl-(4,4-difluoro-3-propylcyclopenten-1-yl)oxy-dimethylsilane
SMILESCCCC1C=C(O[Si](C)(C)C(C)(C)C)CC1(F)F
InChIInChI=1S/C14H26F2OSi/c1-7-8-11-9-12(10-14(11,15)16)17-18(5,6)13(2,3)4/h9,11H,7-8,10H2,1-6H3
InChIKeyDPSDMNDVAYQVHV-UHFFFAOYSA-N
XLogP5.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.44
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S,2S)-4-[tert-butyl(dimethyl)silyl]oxy-1-hexadecyl-2-phenylsulfanylcyclopent-3-en-1-ol
CID 11813597
ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]propanoate
CID 10380829
tert-butyl-dimethyl-[4-phenyl-3-[4-(trifluoromethyl)phenyl]-4-tri(propan-2-yl)silyloxycyclopenten-1-yl]oxysilane
CID 177494411
tert-butyl-dimethyl-[4-phenyl-3-thiophen-2-yl-4-tri(propan-2-yl)silyloxycyclopenten-1-yl]oxysilane
CID 177471883
3-[(1R,2R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6-propylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one
CID 177499738
S-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl] ethanethioate
CID 15414680
N-[(E)-[3-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]methylideneamino]-N-methylmethanamine
CID 10801884
ethyl 2-[(1R,6S)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-yl]acetate
CID 24764392
tert-butyl-dimethyl-(1,2,3,6-tetrahydropyridin-4-yloxy)silane
CID 154410183
tert-butyl-(cyclododecen-1-yloxy)-dimethylsilane
CID 71357243
dimethyl (1S,2S,3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-(dimethylamino)cyclohex-4-ene-1,2-dicarboxylate
CID 10737995
tert-butyl-(2-ethyl-6-fluorophenoxy)-dimethylsilane
CID 90310844

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(4,4-difluoro-3-propylcyclopenten-1-yl)oxy-dimethylsilane?
The IUPAC name of tert-butyl-(4,4-difluoro-3-propylcyclopenten-1-yl)oxy-dimethylsilane (CID 122389927) is tert-butyl-(4,4-difluoro-3-propylcyclopenten-1-yl)oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-(4,4-difluoro-3-propylcyclopenten-1-yl)oxy-dimethylsilane?
The canonical SMILES for tert-butyl-(4,4-difluoro-3-propylcyclopenten-1-yl)oxy-dimethylsilane is CCCC1C=C(O[Si](C)(C)C(C)(C)C)CC1(F)F.
What is the InChIKey of tert-butyl-(4,4-difluoro-3-propylcyclopenten-1-yl)oxy-dimethylsilane?
The InChIKey is DPSDMNDVAYQVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2OSi/c1-7-8-11-9-12(10-14(11,15)16)17-18(5,6)13(2,3)4/h9,11H,7-8,10H2,1-6H3.
What are the key properties of tert-butyl-(4,4-difluoro-3-propylcyclopenten-1-yl)oxy-dimethylsilane?
tert-butyl-(4,4-difluoro-3-propylcyclopenten-1-yl)oxy-dimethylsilane has a molecular weight of 276.44 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(4,4-difluoro-3-propylcyclopenten-1-yl)oxy-dimethylsilane is sourced from PubChem (CID 122389927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).