ethyl 6-[tert-butyl(dimethyl)silyl]oxycyclohexa-1,4-diene-1-carboxylate

C15H26O3Si — CID 10924034

IUPACethyl 6-[tert-butyl(dimethyl)silyl]oxycyclohexa-1,4-diene-1-carboxylate
SMILESCCOC(=O)C1=CCC=CC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H26O3Si/c1-7-17-14(16)12-10-8-9-11-13(12)18-19(5,6)15(2,3)4/h9-11,13H,7-8H2,1-6H3
InChIKeyLJSZPCJFUYOTAM-UHFFFAOYSA-N
MW282.46 g/mol
LogP3.83
Rot. Bonds4

About ethyl 6-[tert-butyl(dimethyl)silyl]oxycyclohexa-1,4-diene-1-carboxylate

ethyl 6-[tert-butyl(dimethyl)silyl]oxycyclohexa-1,4-diene-1-carboxylate (PubChem CID 10924034) has the molecular formula C15H26O3Si and a molecular weight of 282.46 g/mol. Its IUPAC name is ethyl 6-[tert-butyl(dimethyl)silyl]oxycyclohexa-1,4-diene-1-carboxylate.

Molecular Properties

Compound Nameethyl 6-[tert-butyl(dimethyl)silyl]oxycyclohexa-1,4-diene-1-carboxylate
PubChem CID10924034
Molecular FormulaC15H26O3Si
Molecular Weight282.46 g/mol
Exact Mass282.17
IUPAC Nameethyl 6-[tert-butyl(dimethyl)silyl]oxycyclohexa-1,4-diene-1-carboxylate
SMILESCCOC(=O)C1=CCC=CC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H26O3Si/c1-7-17-14(16)12-10-8-9-11-13(12)18-19(5,6)15(2,3)4/h9-11,13H,7-8H2,1-6H3
InChIKeyLJSZPCJFUYOTAM-UHFFFAOYSA-N
XLogP3.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 10084653
(E)-ethyl 6-(tert-butyldimethylsilyloxy)hex-2-enoate
CID 10826090
(Trimethylsilyloxy)cyclohexa-1,4-diene-1,2-dicarboxylic acid dimethyl ester
CID 12405273
(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-6-one
CID 10220446
ethyl (E,4R)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 10901315
(2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-6-one
CID 11107972
ethyl (2E,4S)-4-[(tert-butyldimethylsilyl)oxy]pent-2-enoate
CID 11118755
ethyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 14260361
Diethyl 4-methoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1,3-dicarboxylate
CID 15093060
ethyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethylpent-2-enoate
CID 60153401
diethyl (E)-5-methylidene-3-trimethylsilylhex-2-enedioate
CID 101412878
(S,e)-ethyl 6-(t-butyldimethylsilyloxy)hept-2-enoate
CID 129843282

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[tert-butyl(dimethyl)silyl]oxycyclohexa-1,4-diene-1-carboxylate?
The IUPAC name of ethyl 6-[tert-butyl(dimethyl)silyl]oxycyclohexa-1,4-diene-1-carboxylate (CID 10924034) is ethyl 6-[tert-butyl(dimethyl)silyl]oxycyclohexa-1,4-diene-1-carboxylate.
What is the SMILES notation for ethyl 6-[tert-butyl(dimethyl)silyl]oxycyclohexa-1,4-diene-1-carboxylate?
The canonical SMILES for ethyl 6-[tert-butyl(dimethyl)silyl]oxycyclohexa-1,4-diene-1-carboxylate is CCOC(=O)C1=CCC=CC1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl 6-[tert-butyl(dimethyl)silyl]oxycyclohexa-1,4-diene-1-carboxylate?
The InChIKey is LJSZPCJFUYOTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3Si/c1-7-17-14(16)12-10-8-9-11-13(12)18-19(5,6)15(2,3)4/h9-11,13H,7-8H2,1-6H3.
What are the key properties of ethyl 6-[tert-butyl(dimethyl)silyl]oxycyclohexa-1,4-diene-1-carboxylate?
ethyl 6-[tert-butyl(dimethyl)silyl]oxycyclohexa-1,4-diene-1-carboxylate has a molecular weight of 282.46 g/mol, XLogP of 3.83, 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]oxycyclohexa-1,4-diene-1-carboxylate is sourced from PubChem (CID 10924034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).