ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-propanoylcyclohexane-1-carboxylate

C18H34O4Si — CID 142335976

IUPACethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-propanoylcyclohexane-1-carboxylate
SMILESCCOC(=O)C1(C(=O)CC)CCC(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C18H34O4Si/c1-8-15(19)18(16(20)21-9-2)12-10-14(11-13-18)22-23(6,7)17(3,4)5/h14H,8-13H2,1-7H3
InChIKeyILLIZJLBNQELCV-UHFFFAOYSA-N
MW342.55 g/mol
LogP4.48
Rot. Bonds6

About ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-propanoylcyclohexane-1-carboxylate

ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-propanoylcyclohexane-1-carboxylate (PubChem CID 142335976) has the molecular formula C18H34O4Si and a molecular weight of 342.55 g/mol. Its IUPAC name is ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-propanoylcyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-propanoylcyclohexane-1-carboxylate
PubChem CID142335976
Molecular FormulaC18H34O4Si
Molecular Weight342.55 g/mol
Exact Mass342.22
IUPAC Nameethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-propanoylcyclohexane-1-carboxylate
SMILESCCOC(=O)C1(C(=O)CC)CCC(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C18H34O4Si/c1-8-15(19)18(16(20)21-9-2)12-10-14(11-13-18)22-23(6,7)17(3,4)5/h14H,8-13H2,1-7H3
InChIKeyILLIZJLBNQELCV-UHFFFAOYSA-N
XLogP4.48
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.55
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(4R,6R)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4-tri(propan-2-yl)silyloxyoxan-2-one
CID 11236491
Methyl (5r)-5-[t-butyl(dimethyl)silyloxy]-3-oxodecanoate
CID 23241629
dimethyl (2R,5S)-5-butyl-2-[2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]oxolane-3,3-dicarboxylate
CID 101526185
Methyl (5s)-5-[t-butyl(dimethyl)silyloxy]-3-oxodecanoate
CID 129750370
Methyl (2rs,5s)-5-[t-butyl(dimethyl)silyloxy]-2-hexyl-3-oxodecanoate
CID 129750920
Methyl (2rs,5s)-5-{[t-butyl(dimethyl)silyl]-oxy}-2-hexyl-3-oxohexadecanoate
CID 129758585
Methyl (5s)-5-{[t-butyl(dimethyl)silyl]-oxy}-3-oxohexadecanoate
CID 129759212
Ethyl 2-hexyl-3-oxo-5-trimethylsilyloxyhexadecanoate
CID 17903905
Methyl 2-hexyl-3-oxo-5-trimethylsilyloxyhexadecanoate
CID 17903908
1-O-tert-butyl 10-O-ethyl 2-acetyl-2-(3-acetyloxyoctyl)decanedioate
CID 20322220
1-O-tert-butyl 9-O-ethyl 2-acetyl-2-(3-acetyloxynonyl)nonanedioate
CID 20322308
Trimethylsilylmethyl 4-(2,2-dimethylbutanoyloxy)cyclohexane-1-carboxylate
CID 57530920

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-propanoylcyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-propanoylcyclohexane-1-carboxylate (CID 142335976) is ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-propanoylcyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-propanoylcyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-propanoylcyclohexane-1-carboxylate is CCOC(=O)C1(C(=O)CC)CCC(O[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-propanoylcyclohexane-1-carboxylate?
The InChIKey is ILLIZJLBNQELCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O4Si/c1-8-15(19)18(16(20)21-9-2)12-10-14(11-13-18)22-23(6,7)17(3,4)5/h14H,8-13H2,1-7H3.
What are the key properties of ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-propanoylcyclohexane-1-carboxylate?
ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-propanoylcyclohexane-1-carboxylate has a molecular weight of 342.55 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-propanoylcyclohexane-1-carboxylate is sourced from PubChem (CID 142335976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).