ethyl 6-[tert-butyl(dimethyl)silyl]oxycyclohexene-1-carboxylate

C15H28O3Si — CID 11044306

IUPACethyl 6-[tert-butyl(dimethyl)silyl]oxycyclohexene-1-carboxylate
SMILESCCOC(=O)C1=CCCCC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O3Si/c1-7-17-14(16)12-10-8-9-11-13(12)18-19(5,6)15(2,3)4/h10,13H,7-9,11H2,1-6H3
InChIKeyHGXFWGCYARMPDZ-UHFFFAOYSA-N
MW284.47 g/mol
LogP4.05
Rot. Bonds4

About ethyl 6-[tert-butyl(dimethyl)silyl]oxycyclohexene-1-carboxylate

ethyl 6-[tert-butyl(dimethyl)silyl]oxycyclohexene-1-carboxylate (PubChem CID 11044306) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is ethyl 6-[tert-butyl(dimethyl)silyl]oxycyclohexene-1-carboxylate.

Molecular Properties

Compound Nameethyl 6-[tert-butyl(dimethyl)silyl]oxycyclohexene-1-carboxylate
PubChem CID11044306
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Nameethyl 6-[tert-butyl(dimethyl)silyl]oxycyclohexene-1-carboxylate
SMILESCCOC(=O)C1=CCCCC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O3Si/c1-7-17-14(16)12-10-8-9-11-13(12)18-19(5,6)15(2,3)4/h10,13H,7-9,11H2,1-6H3
InChIKeyHGXFWGCYARMPDZ-UHFFFAOYSA-N
XLogP4.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(R)-Methyl 7-(3-((tert-butyldimethylsilyl)oxy)-5-oxocyclopent-1-en-1-yl)heptanoate
CID 11024659
methyl (E)-2-(2-methyl-1-triethylsilyloxyprop-2-enyl)hexadec-2-enoate
CID 23729629
Methyl 2-butyl-4-prop-2-enyl-2,5-dihydrofuran-3-carboxylate
CID 101195454
Ethyl 2-trimethylsilyloxycyclohexene-1-carboxylate
CID 10900814
Methyl 7-(5-oxo-3-((triethylsilyl)oxy)cyclopent-1-en-1-yl)heptanoate
CID 10991861
Ethyl 6-(acetyloxy)cyclohex-1-ene-1-carboxylate
CID 13929854
methyl 7-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]heptanoate
CID 14731773
(R)-Methyl 7-(5-oxo-3-((triethylsilyl)oxy)cyclopent-1-en-1-yl)heptanoate
CID 10832001
(2S)-2-methyl-4-[(2R)-2-tri(propan-2-yl)silyloxyhex-5-enyl]-2H-furan-5-one
CID 11846083
(E)-2-(oxan-2-yl)-1-trimethylsilylbut-2-en-1-one
CID 14691619
methyl 7-[(3S)-5-oxo-3-triethylsilyloxycyclopenten-1-yl]heptanoate
CID 99773975
ethyl (2Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2-[3-(5-oxo-2H-furan-4-yl)propylidene]hept-6-enoate
CID 134962603

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[tert-butyl(dimethyl)silyl]oxycyclohexene-1-carboxylate?
The IUPAC name of ethyl 6-[tert-butyl(dimethyl)silyl]oxycyclohexene-1-carboxylate (CID 11044306) is ethyl 6-[tert-butyl(dimethyl)silyl]oxycyclohexene-1-carboxylate.
What is the SMILES notation for ethyl 6-[tert-butyl(dimethyl)silyl]oxycyclohexene-1-carboxylate?
The canonical SMILES for ethyl 6-[tert-butyl(dimethyl)silyl]oxycyclohexene-1-carboxylate is CCOC(=O)C1=CCCCC1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl 6-[tert-butyl(dimethyl)silyl]oxycyclohexene-1-carboxylate?
The InChIKey is HGXFWGCYARMPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3Si/c1-7-17-14(16)12-10-8-9-11-13(12)18-19(5,6)15(2,3)4/h10,13H,7-9,11H2,1-6H3.
What are the key properties of ethyl 6-[tert-butyl(dimethyl)silyl]oxycyclohexene-1-carboxylate?
ethyl 6-[tert-butyl(dimethyl)silyl]oxycyclohexene-1-carboxylate has a molecular weight of 284.47 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[tert-butyl(dimethyl)silyl]oxycyclohexene-1-carboxylate is sourced from PubChem (CID 11044306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).