ethyl 2-[(1R,6S)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-yl]acetate

C22H44O4Si2 — CID 24764392

IUPACethyl 2-[(1R,6S)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-yl]acetate
SMILESCCOC(=O)C[C@@H]1C=C(O[Si](C)(C)C(C)(C)C)CC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H44O4Si2/c1-12-24-20(23)16-17-15-18(25-27(8,9)21(2,3)4)13-14-19(17)26-28(10,11)22(5,6)7/h15,17,19H,12-14,16H2,1-11H3/t17-,19-/m0/s1
InChIKeyDGKSVGRZPSADPV-HKUYNNGSSA-N
MW428.76 g/mol
LogP6.65
Rot. Bonds7

About ethyl 2-[(1R,6S)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-yl]acetate

ethyl 2-[(1R,6S)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-yl]acetate (PubChem CID 24764392) has the molecular formula C22H44O4Si2 and a molecular weight of 428.76 g/mol. Its IUPAC name is ethyl 2-[(1R,6S)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(1R,6S)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-yl]acetate
PubChem CID24764392
Molecular FormulaC22H44O4Si2
Molecular Weight428.76 g/mol
Exact Mass428.28
IUPAC Nameethyl 2-[(1R,6S)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-yl]acetate
SMILESCCOC(=O)C[C@@H]1C=C(O[Si](C)(C)C(C)(C)C)CC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H44O4Si2/c1-12-24-20(23)16-17-15-18(25-27(8,9)21(2,3)4)13-14-19(17)26-28(10,11)22(5,6)7/h15,17,19H,12-14,16H2,1-11H3/t17-,19-/m0/s1
InChIKeyDGKSVGRZPSADPV-HKUYNNGSSA-N
XLogP6.65
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.76
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 2-[(1R,6S)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-yl]acetate with MolForge

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Related Compounds

ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]propanoate
CID 10380829
ethyl 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate
CID 10828109
ethyl 2-[(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-6,7-difluoro-1,2-dihydronaphthalen-2-yl]acetate
CID 134950297
ethyl 4-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-oxocyclopentyl]butanoate
CID 101036975
ethyl 2-[(3S,4S)-2-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-1,2-oxazolidin-3-yl]acetate
CID 15839780
ethyl 3-[(1S,6S)-6-[tert-butyl(dimethyl)silyl]oxycyclohepta-2,4-dien-1-yl]propanoate
CID 11005096
1-[(1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylamino)cyclohex-3-en-1-yl]ethanone
CID 134979554
ethyl 2-[(2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-phenyloxan-2-yl]acetate
CID 166448975
ethyl 3-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate
CID 141450623
ethyl 2-[(1R,4S,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-3,7-dioxabicyclo[4.1.0]heptan-4-yl]acetate
CID 102283467
S-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl] ethanethioate
CID 15414680
ethyl (3R)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxyoxan-2-yl]butanoate
CID 11428385

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1R,6S)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-yl]acetate?
The IUPAC name of ethyl 2-[(1R,6S)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-yl]acetate (CID 24764392) is ethyl 2-[(1R,6S)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-yl]acetate.
What is the SMILES notation for ethyl 2-[(1R,6S)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-yl]acetate?
The canonical SMILES for ethyl 2-[(1R,6S)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-yl]acetate is CCOC(=O)C[C@@H]1C=C(O[Si](C)(C)C(C)(C)C)CC[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl 2-[(1R,6S)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-yl]acetate?
The InChIKey is DGKSVGRZPSADPV-HKUYNNGSSA-N. The full InChI is InChI=1S/C22H44O4Si2/c1-12-24-20(23)16-17-15-18(25-27(8,9)21(2,3)4)13-14-19(17)26-28(10,11)22(5,6)7/h15,17,19H,12-14,16H2,1-11H3/t17-,19-/m0/s1.
What are the key properties of ethyl 2-[(1R,6S)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-yl]acetate?
ethyl 2-[(1R,6S)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-yl]acetate has a molecular weight of 428.76 g/mol, XLogP of 6.65, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1R,6S)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-yl]acetate is sourced from PubChem (CID 24764392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).