methyl (1S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]heptane-6-carboxylate

C15H28O3Si — CID 134918792

IUPACmethyl (1S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]heptane-6-carboxylate
SMILESCOC(=O)[C@H]1C[C@@H]2CCC[C@@]21O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O3Si/c1-14(2,3)19(5,6)18-15-9-7-8-11(15)10-12(15)13(16)17-4/h11-12H,7-10H2,1-6H3/t11-,12+,15+/m0/s1
InChIKeyVRCFMYFYGZJDOP-YWPYICTPSA-N
MW284.47 g/mol
LogP3.74
Rot. Bonds3

About methyl (1S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]heptane-6-carboxylate

methyl (1S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]heptane-6-carboxylate (PubChem CID 134918792) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is methyl (1S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]heptane-6-carboxylate.

Molecular Properties

Compound Namemethyl (1S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]heptane-6-carboxylate
PubChem CID134918792
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Namemethyl (1S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]heptane-6-carboxylate
SMILESCOC(=O)[C@H]1C[C@@H]2CCC[C@@]21O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O3Si/c1-14(2,3)19(5,6)18-15-9-7-8-11(15)10-12(15)13(16)17-4/h11-12H,7-10H2,1-6H3/t11-,12+,15+/m0/s1
InChIKeyVRCFMYFYGZJDOP-YWPYICTPSA-N
XLogP3.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.74
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

methyl (1S,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylbicyclo[3.2.0]heptane-6-carboxylate
CID 134918764
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-2-propan-2-ylcyclobutane-1-carboxylate
CID 140523837
2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopentyl]-4-methyl-2H-furan-5-one
CID 102254221
methyl 2-tert-butyl-2-trimethylsilyloxycyclopropane-1-carboxylate
CID 12647169
[7a-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-phenylmethanone
CID 101428155
methyl (3aR,4S,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,2,3a-trimethyl-4,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxole-4-carboxylate
CID 102392357
methyl spiro[2.6]nonane-2-carboxylate
CID 144510342
tert-butyl-[[(1S,6S,7S)-7-deuterio-1-bicyclo[4.1.0]heptanyl]oxy]-dimethylsilane
CID 10846938
methyl 9,9-dimethoxybicyclo[3.3.1]nonane-3-carboxylate
CID 90810756
methyl 2-amino-4-oxo-1-oxa-3-azaspiro[4.4]non-2-ene-9-carboxylate
CID 10774882
methyl (1S,7R)-7-[tert-butyl(dimethyl)silyl]oxybicyclo[5.2.0]non-8-ene-8-carboxylate
CID 102465254
(4R,5R,9R)-4-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonane-9-carboxylic acid
CID 11779460

Frequently Asked Questions

What is the IUPAC name of methyl (1S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]heptane-6-carboxylate?
The IUPAC name of methyl (1S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]heptane-6-carboxylate (CID 134918792) is methyl (1S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]heptane-6-carboxylate.
What is the SMILES notation for methyl (1S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]heptane-6-carboxylate?
The canonical SMILES for methyl (1S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]heptane-6-carboxylate is COC(=O)[C@H]1C[C@@H]2CCC[C@@]21O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (1S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]heptane-6-carboxylate?
The InChIKey is VRCFMYFYGZJDOP-YWPYICTPSA-N. The full InChI is InChI=1S/C15H28O3Si/c1-14(2,3)19(5,6)18-15-9-7-8-11(15)10-12(15)13(16)17-4/h11-12H,7-10H2,1-6H3/t11-,12+,15+/m0/s1.
What are the key properties of methyl (1S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]heptane-6-carboxylate?
methyl (1S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]heptane-6-carboxylate has a molecular weight of 284.47 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]heptane-6-carboxylate is sourced from PubChem (CID 134918792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).