methyl (6S,7R)-2-oxo-7-trimethylsilyloxybicyclo[4.2.0]octane-7-carboxylate

C13H22O4Si — CID 134974003

IUPACmethyl (6S,7R)-2-oxo-7-trimethylsilyloxybicyclo[4.2.0]octane-7-carboxylate
SMILESCOC(=O)[C@@]1(O[Si](C)(C)C)CC2C(=O)CCC[C@@H]21
InChIInChI=1S/C13H22O4Si/c1-16-12(15)13(17-18(2,3)4)8-9-10(13)6-5-7-11(9)14/h9-10H,5-8H2,1-4H3/t9?,10-,13+/m0/s1
InChIKeyKLLOOUWQYCWVGN-QQIFVLEESA-N
MW270.40 g/mol
LogP2.14
Rot. Bonds3

About methyl (6S,7R)-2-oxo-7-trimethylsilyloxybicyclo[4.2.0]octane-7-carboxylate

methyl (6S,7R)-2-oxo-7-trimethylsilyloxybicyclo[4.2.0]octane-7-carboxylate (PubChem CID 134974003) has the molecular formula C13H22O4Si and a molecular weight of 270.40 g/mol. Its IUPAC name is methyl (6S,7R)-2-oxo-7-trimethylsilyloxybicyclo[4.2.0]octane-7-carboxylate.

Molecular Properties

Compound Namemethyl (6S,7R)-2-oxo-7-trimethylsilyloxybicyclo[4.2.0]octane-7-carboxylate
PubChem CID134974003
Molecular FormulaC13H22O4Si
Molecular Weight270.40 g/mol
Exact Mass270.13
IUPAC Namemethyl (6S,7R)-2-oxo-7-trimethylsilyloxybicyclo[4.2.0]octane-7-carboxylate
SMILESCOC(=O)[C@@]1(O[Si](C)(C)C)CC2C(=O)CCC[C@@H]21
InChIInChI=1S/C13H22O4Si/c1-16-12(15)13(17-18(2,3)4)8-9-10(13)6-5-7-11(9)14/h9-10H,5-8H2,1-4H3/t9?,10-,13+/m0/s1
InChIKeyKLLOOUWQYCWVGN-QQIFVLEESA-N
XLogP2.14
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (4aR,8aR)-3-methyl-8-oxo-1,2,3,4,5,6,7,8a-octahydronaphthalene-4a-carboxylate
CID 10609188
methyl (1R,6R)-5-oxobicyclo[4.1.0]heptane-1-carboxylate
CID 11768947
methyl (1S,4aS,8aR)-1-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylate
CID 134975616
methyl 4-oxobicyclo[3.2.1]octane-1-carboxylate
CID 12729447
methyl (2S,3aR,7aR)-4-oxo-1,2,3,3a,5,6,7,7a-octahydroindole-2-carboxylate
CID 95654605
methyl (1R,4R,6S)-4-trimethylsilyloxy-10-azatricyclo[4.3.1.02,4]decane-10-carboxylate
CID 11822148
methyl (1S,2S,6R,7S)-8-oxotricyclo[5.3.0.02,6]decane-1-carboxylate
CID 11127492
dimethyl bicyclo[5.1.0]octane-8,8-dicarboxylate
CID 14547848
methyl (3R,3aR,9aR)-3-hydroxy-2-oxo-3a,4,5,6,7,8,9,9a-octahydrocycloocta[b]furan-3-carboxylate
CID 15442831
methyl 2'-methylspiro[bicyclo[4.2.0]octane-7,3'-oxirane]-2'-carboxylate
CID 165444299
methyl (3S,3aS,9aS)-3-hydroxy-2-oxo-3a,4,5,6,7,8,9,9a-octahydrocycloocta[b]furan-3-carboxylate
CID 101008088
methyl (1S,5S,6S)-6-chloro-2-oxobicyclo[3.1.0]hexane-6-carboxylate
CID 101134105

Frequently Asked Questions

What is the IUPAC name of methyl (6S,7R)-2-oxo-7-trimethylsilyloxybicyclo[4.2.0]octane-7-carboxylate?
The IUPAC name of methyl (6S,7R)-2-oxo-7-trimethylsilyloxybicyclo[4.2.0]octane-7-carboxylate (CID 134974003) is methyl (6S,7R)-2-oxo-7-trimethylsilyloxybicyclo[4.2.0]octane-7-carboxylate.
What is the SMILES notation for methyl (6S,7R)-2-oxo-7-trimethylsilyloxybicyclo[4.2.0]octane-7-carboxylate?
The canonical SMILES for methyl (6S,7R)-2-oxo-7-trimethylsilyloxybicyclo[4.2.0]octane-7-carboxylate is COC(=O)[C@@]1(O[Si](C)(C)C)CC2C(=O)CCC[C@@H]21.
What is the InChIKey of methyl (6S,7R)-2-oxo-7-trimethylsilyloxybicyclo[4.2.0]octane-7-carboxylate?
The InChIKey is KLLOOUWQYCWVGN-QQIFVLEESA-N. The full InChI is InChI=1S/C13H22O4Si/c1-16-12(15)13(17-18(2,3)4)8-9-10(13)6-5-7-11(9)14/h9-10H,5-8H2,1-4H3/t9?,10-,13+/m0/s1.
What are the key properties of methyl (6S,7R)-2-oxo-7-trimethylsilyloxybicyclo[4.2.0]octane-7-carboxylate?
methyl (6S,7R)-2-oxo-7-trimethylsilyloxybicyclo[4.2.0]octane-7-carboxylate has a molecular weight of 270.40 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6S,7R)-2-oxo-7-trimethylsilyloxybicyclo[4.2.0]octane-7-carboxylate is sourced from PubChem (CID 134974003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).