ethyl 3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]prop-2-enoate

C17H32O3Si — CID 175199551

IUPACethyl 3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]prop-2-enoate
SMILESCCOC(=O)C=CC1CCC(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C17H32O3Si/c1-7-19-16(18)13-10-14-8-11-15(12-9-14)20-21(5,6)17(2,3)4/h10,13-15H,7-9,11-12H2,1-6H3
InChIKeyFUHGTGWTOWLSHZ-UHFFFAOYSA-N
MW312.53 g/mol
LogP4.69
Rot. Bonds5

About ethyl 3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]prop-2-enoate

ethyl 3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]prop-2-enoate (PubChem CID 175199551) has the molecular formula C17H32O3Si and a molecular weight of 312.53 g/mol. Its IUPAC name is ethyl 3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]prop-2-enoate
PubChem CID175199551
Molecular FormulaC17H32O3Si
Molecular Weight312.53 g/mol
Exact Mass312.21
IUPAC Nameethyl 3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]prop-2-enoate
SMILESCCOC(=O)C=CC1CCC(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C17H32O3Si/c1-7-19-16(18)13-10-14-8-11-15(12-9-14)20-21(5,6)17(2,3)4/h10,13-15H,7-9,11-12H2,1-6H3
InChIKeyFUHGTGWTOWLSHZ-UHFFFAOYSA-N
XLogP4.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.53
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-3-ethoxy-3-oxoprop-1-enyl]pyrrolidine-1-carboxylic acid
CID 69023417
(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-3-oxoprop-1-enyl)pyrrolidine-1-carboxylic acid
CID 69023421
ethyl 3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylprop-2-enoate
CID 54522680
prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-3-oxoprop-1-enyl)pyrrolidine-1-carboxylate
CID 57199298
ethyl 3-cyclobutylprop-2-enoate
CID 54090850
ethyl (E)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate
CID 11587717
ethyl (E)-3-(1-tert-butylpiperidin-4-yl)prop-2-enoate
CID 141280258
tert-butyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-3-ethoxy-3-oxoprop-1-enyl]piperidine-1-carboxylate
CID 153284032
ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxycyclohexane-1-carboxylate
CID 157320752
ethyl 3-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate
CID 141450623
ethyl (E)-3-(1-propan-2-ylpiperidin-4-yl)prop-2-enoate
CID 23062586
4-(3-ethoxy-3-oxoprop-1-enyl)piperidine-1-carboxylic acid
CID 70246318

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]prop-2-enoate?
The IUPAC name of ethyl 3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]prop-2-enoate (CID 175199551) is ethyl 3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]prop-2-enoate.
What is the SMILES notation for ethyl 3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]prop-2-enoate?
The canonical SMILES for ethyl 3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]prop-2-enoate is CCOC(=O)C=CC1CCC(O[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of ethyl 3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]prop-2-enoate?
The InChIKey is FUHGTGWTOWLSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O3Si/c1-7-19-16(18)13-10-14-8-11-15(12-9-14)20-21(5,6)17(2,3)4/h10,13-15H,7-9,11-12H2,1-6H3.
What are the key properties of ethyl 3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]prop-2-enoate?
ethyl 3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]prop-2-enoate has a molecular weight of 312.53 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]prop-2-enoate is sourced from PubChem (CID 175199551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).