ethyl 2-[tert-butyl(dimethyl)silyl]oxy-6-cyclohexylhex-4-enoate

C20H38O3Si — CID 57108378

IUPACethyl 2-[tert-butyl(dimethyl)silyl]oxy-6-cyclohexylhex-4-enoate
SMILESCCOC(=O)C(CC=CCC1CCCCC1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38O3Si/c1-7-22-19(21)18(23-24(5,6)20(2,3)4)16-12-11-15-17-13-9-8-10-14-17/h11-12,17-18H,7-10,13-16H2,1-6H3
InChIKeyXWMGPEIXDLAQRB-UHFFFAOYSA-N
MW354.61 g/mol
LogP5.86
Rot. Bonds8

About ethyl 2-[tert-butyl(dimethyl)silyl]oxy-6-cyclohexylhex-4-enoate

ethyl 2-[tert-butyl(dimethyl)silyl]oxy-6-cyclohexylhex-4-enoate (PubChem CID 57108378) has the molecular formula C20H38O3Si and a molecular weight of 354.61 g/mol. Its IUPAC name is ethyl 2-[tert-butyl(dimethyl)silyl]oxy-6-cyclohexylhex-4-enoate.

Molecular Properties

Compound Nameethyl 2-[tert-butyl(dimethyl)silyl]oxy-6-cyclohexylhex-4-enoate
PubChem CID57108378
Molecular FormulaC20H38O3Si
Molecular Weight354.61 g/mol
Exact Mass354.26
IUPAC Nameethyl 2-[tert-butyl(dimethyl)silyl]oxy-6-cyclohexylhex-4-enoate
SMILESCCOC(=O)C(CC=CCC1CCCCC1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38O3Si/c1-7-22-19(21)18(23-24(5,6)20(2,3)4)16-12-11-15-17-13-9-8-10-14-17/h11-12,17-18H,7-10,13-16H2,1-6H3
InChIKeyXWMGPEIXDLAQRB-UHFFFAOYSA-N
XLogP5.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.61
LogP ≤ 55.86
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

[(2S)-4-amino-3-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbutan-2-yl]carbamic acid
CID 67852615
(E)-6-cycloheptyl-2-propan-2-ylhex-4-enoic acid
CID 19868255
2-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylpropan-1-ol
CID 19966072
ethyl (2S)-2-amino-3-cyclohexylpropanoate;hydrochloride
CID 67876797
ethyl (2S,5S)-6-cyclohexyl-2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hex-3-enoate
CID 57122320
ethyl (2S)-4-cyclohexyl-2-methylbutanoate
CID 59355198
diethyl 3-(cyclohexylmethyl)-2-ethyl-2-methylbutanedioate
CID 22241944
[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 590026
ethyl 2-[2-[2-[tert-butyl(dimethyl)silyl]oxypropanoyloxy]propanoyloxy]propanoate
CID 10177567
ethyl 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate
CID 10828109
N-[3-[tert-butyl(dimethyl)silyl]oxy-4-(cyclohexylmethylamino)-1-phenylbutan-2-yl]-N-[(2-methylpropan-2-yl)oxy]formamide
CID 88666557
(2R)-2-[tert-butyl(dimethyl)silyl]oxybutanoic acid
CID 87507546

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[tert-butyl(dimethyl)silyl]oxy-6-cyclohexylhex-4-enoate?
The IUPAC name of ethyl 2-[tert-butyl(dimethyl)silyl]oxy-6-cyclohexylhex-4-enoate (CID 57108378) is ethyl 2-[tert-butyl(dimethyl)silyl]oxy-6-cyclohexylhex-4-enoate.
What is the SMILES notation for ethyl 2-[tert-butyl(dimethyl)silyl]oxy-6-cyclohexylhex-4-enoate?
The canonical SMILES for ethyl 2-[tert-butyl(dimethyl)silyl]oxy-6-cyclohexylhex-4-enoate is CCOC(=O)C(CC=CCC1CCCCC1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl 2-[tert-butyl(dimethyl)silyl]oxy-6-cyclohexylhex-4-enoate?
The InChIKey is XWMGPEIXDLAQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O3Si/c1-7-22-19(21)18(23-24(5,6)20(2,3)4)16-12-11-15-17-13-9-8-10-14-17/h11-12,17-18H,7-10,13-16H2,1-6H3.
What are the key properties of ethyl 2-[tert-butyl(dimethyl)silyl]oxy-6-cyclohexylhex-4-enoate?
ethyl 2-[tert-butyl(dimethyl)silyl]oxy-6-cyclohexylhex-4-enoate has a molecular weight of 354.61 g/mol, XLogP of 5.86, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[tert-butyl(dimethyl)silyl]oxy-6-cyclohexylhex-4-enoate is sourced from PubChem (CID 57108378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).