methyl (1S,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxybicyclo[6.2.0]decane-9-carboxylate

C18H34O3Si — CID 134918467

IUPACmethyl (1S,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxybicyclo[6.2.0]decane-9-carboxylate
SMILESCOC(=O)[C@H]1C[C@@H]2CCCCCC[C@@]21O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O3Si/c1-17(2,3)22(5,6)21-18-12-10-8-7-9-11-14(18)13-15(18)16(19)20-4/h14-15H,7-13H2,1-6H3/t14-,15+,18+/m0/s1
InChIKeySYNGSBUQYWRGFN-HDMKZQKVSA-N
MW326.55 g/mol
LogP4.91
Rot. Bonds3

About methyl (1S,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxybicyclo[6.2.0]decane-9-carboxylate

methyl (1S,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxybicyclo[6.2.0]decane-9-carboxylate (PubChem CID 134918467) has the molecular formula C18H34O3Si and a molecular weight of 326.55 g/mol. Its IUPAC name is methyl (1S,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxybicyclo[6.2.0]decane-9-carboxylate.

Molecular Properties

Compound Namemethyl (1S,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxybicyclo[6.2.0]decane-9-carboxylate
PubChem CID134918467
Molecular FormulaC18H34O3Si
Molecular Weight326.55 g/mol
Exact Mass326.23
IUPAC Namemethyl (1S,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxybicyclo[6.2.0]decane-9-carboxylate
SMILESCOC(=O)[C@H]1C[C@@H]2CCCCCC[C@@]21O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O3Si/c1-17(2,3)22(5,6)21-18-12-10-8-7-9-11-14(18)13-15(18)16(19)20-4/h14-15H,7-13H2,1-6H3/t14-,15+,18+/m0/s1
InChIKeySYNGSBUQYWRGFN-HDMKZQKVSA-N
XLogP4.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.55
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1,1,3,3,3-hexafluoropropan-2-yl (1S,8R,9R)-8-[tert-butyl(dimethyl)silyl]oxybicyclo[6.2.0]decane-9-carboxylate
CID 12177258
1,1,1,3,3,3-hexafluoropropan-2-yl (1S,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxybicyclo[6.2.0]decane-9-carboxylate
CID 101371471
1,1,1,3,3,3-hexafluoropropan-2-yl (1S,8S,9R)-8-[tert-butyl(dimethyl)silyl]oxy-1-methylbicyclo[6.2.0]decane-9-carboxylate
CID 134918586
1,1,1,3,3,3-hexafluoropropan-2-yl (1S,8S,9S)-8-[tert-butyl(dimethyl)silyl]oxy-1-methylbicyclo[6.2.0]decane-9-carboxylate
CID 134918667
methyl (1S,6R,7R)-6-[tert-butyl(dimethyl)silyl]oxybicyclo[4.2.0]octane-7-carboxylate
CID 12149874
methyl (1S,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxybicyclo[5.2.0]nonane-8-carboxylate
CID 59672154
methyl (1S,6S,7R)-6-[tert-butyl(dimethyl)silyl]oxy-1-methylbicyclo[4.2.0]octane-7-carboxylate
CID 59672167
(1R*,7S*,9R*)-1-(tert-butyldimethylsiloxy)-9-methoxycarbonyl-bicyclo[5.2.0]nonane
CID 59672168
methyl (1S,7R,8R)-7-[tert-butyl(dimethyl)silyl]oxy-8-methylbicyclo[5.2.0]nonane-8-carboxylate
CID 59672174
trans-methyl (1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-2-propan-2-ylcyclobutane-1-carboxylate
CID 102465250
methyl (1S,6R,7S)-6-[tert-butyl(dimethyl)silyl]oxybicyclo[4.2.0]octane-7-carboxylate
CID 12149875
methyl (1S,7R,8R,9S)-7-[tert-butyl(dimethyl)silyl]oxy-9-methylbicyclo[5.2.0]nonane-8-carboxylate
CID 102465251

Frequently Asked Questions

What is the IUPAC name of methyl (1S,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxybicyclo[6.2.0]decane-9-carboxylate?
The IUPAC name of methyl (1S,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxybicyclo[6.2.0]decane-9-carboxylate (CID 134918467) is methyl (1S,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxybicyclo[6.2.0]decane-9-carboxylate.
What is the SMILES notation for methyl (1S,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxybicyclo[6.2.0]decane-9-carboxylate?
The canonical SMILES for methyl (1S,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxybicyclo[6.2.0]decane-9-carboxylate is COC(=O)[C@H]1C[C@@H]2CCCCCC[C@@]21O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (1S,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxybicyclo[6.2.0]decane-9-carboxylate?
The InChIKey is SYNGSBUQYWRGFN-HDMKZQKVSA-N. The full InChI is InChI=1S/C18H34O3Si/c1-17(2,3)22(5,6)21-18-12-10-8-7-9-11-14(18)13-15(18)16(19)20-4/h14-15H,7-13H2,1-6H3/t14-,15+,18+/m0/s1.
What are the key properties of methyl (1S,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxybicyclo[6.2.0]decane-9-carboxylate?
methyl (1S,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxybicyclo[6.2.0]decane-9-carboxylate has a molecular weight of 326.55 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxybicyclo[6.2.0]decane-9-carboxylate is sourced from PubChem (CID 134918467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).