methyl (1R,7S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-8,8-dimethyl-5-oxobicyclo[5.1.0]octane-4-carboxylate

C18H32O5Si — CID 134835259

IUPACmethyl (1R,7S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-8,8-dimethyl-5-oxobicyclo[5.1.0]octane-4-carboxylate
SMILESCOC(=O)C1C(=O)C[C@H]2C(C)(C)[C@@]2(O[Si](C)(C)C(C)(C)C)CC1O
InChIInChI=1S/C18H32O5Si/c1-16(2,3)24(7,8)23-18-10-12(20)14(15(21)22-6)11(19)9-13(18)17(18,4)5/h12-14,20H,9-10H2,1-8H3/t12?,13-,14?,18+/m0/s1
InChIKeyDGKKOBDXPPUJFF-OGMSWHEOSA-N
MW356.54 g/mol
LogP2.92
Rot. Bonds3

About methyl (1R,7S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-8,8-dimethyl-5-oxobicyclo[5.1.0]octane-4-carboxylate

methyl (1R,7S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-8,8-dimethyl-5-oxobicyclo[5.1.0]octane-4-carboxylate (PubChem CID 134835259) has the molecular formula C18H32O5Si and a molecular weight of 356.54 g/mol. Its IUPAC name is methyl (1R,7S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-8,8-dimethyl-5-oxobicyclo[5.1.0]octane-4-carboxylate.

Molecular Properties

Compound Namemethyl (1R,7S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-8,8-dimethyl-5-oxobicyclo[5.1.0]octane-4-carboxylate
PubChem CID134835259
Molecular FormulaC18H32O5Si
Molecular Weight356.54 g/mol
Exact Mass356.20
IUPAC Namemethyl (1R,7S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-8,8-dimethyl-5-oxobicyclo[5.1.0]octane-4-carboxylate
SMILESCOC(=O)C1C(=O)C[C@H]2C(C)(C)[C@@]2(O[Si](C)(C)C(C)(C)C)CC1O
InChIInChI=1S/C18H32O5Si/c1-16(2,3)24(7,8)23-18-10-12(20)14(15(21)22-6)11(19)9-13(18)17(18,4)5/h12-14,20H,9-10H2,1-8H3/t12?,13-,14?,18+/m0/s1
InChIKeyDGKKOBDXPPUJFF-OGMSWHEOSA-N
XLogP2.92
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.54
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze methyl (1R,7S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-8,8-dimethyl-5-oxobicyclo[5.1.0]octane-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (1R,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-oxocyclopentane-1-carboxylate
CID 11140705
methyl (1S,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylbicyclo[3.2.0]heptane-6-carboxylate
CID 134918764
methyl (1R,3S,4R,6S,8S)-3-[tert-butyl(dimethyl)silyl]oxy-6,10,10-trimethyl-9-oxotricyclo[6.3.0.03,6]undecane-4-carboxylate
CID 135016050
methyl (1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-phenylcyclopentane-1-carboxylate
CID 10521711
methyl 2-tert-butyl-6-oxocyclohexane-1-carboxylate
CID 15934054
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-2-propan-2-ylcyclobutane-1-carboxylate
CID 140523837
trans-(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]carbonyl]cyclobutan-1-one
CID 57169321
methyl (1R,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5-(phenylmethoxymethoxy)cyclohex-2-ene-1-carboxylate
CID 10070898
methyl (4R,5R,6R,7S)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5-hydroxy-3-oxo-4,5,6,7-tetrahydro-1H-2-benzofuran-4-carboxylate
CID 100978938
methyl (4S,5S,6S,7R)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5-hydroxy-3-oxo-4,5,6,7-tetrahydro-1H-2-benzofuran-4-carboxylate
CID 100978937
tert-butyl-(1,3-dimethylcyclobutyl)oxy-dimethylsilane
CID 174101366
methyl (2aS,4aR,6R,7aS,7bR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,7b-dimethyl-4-oxo-1,2,2a,3,4a,5,7,7a-octahydrocyclobuta[e]indene-3-carboxylate
CID 24755703

Frequently Asked Questions

What is the IUPAC name of methyl (1R,7S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-8,8-dimethyl-5-oxobicyclo[5.1.0]octane-4-carboxylate?
The IUPAC name of methyl (1R,7S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-8,8-dimethyl-5-oxobicyclo[5.1.0]octane-4-carboxylate (CID 134835259) is methyl (1R,7S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-8,8-dimethyl-5-oxobicyclo[5.1.0]octane-4-carboxylate.
What is the SMILES notation for methyl (1R,7S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-8,8-dimethyl-5-oxobicyclo[5.1.0]octane-4-carboxylate?
The canonical SMILES for methyl (1R,7S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-8,8-dimethyl-5-oxobicyclo[5.1.0]octane-4-carboxylate is COC(=O)C1C(=O)C[C@H]2C(C)(C)[C@@]2(O[Si](C)(C)C(C)(C)C)CC1O.
What is the InChIKey of methyl (1R,7S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-8,8-dimethyl-5-oxobicyclo[5.1.0]octane-4-carboxylate?
The InChIKey is DGKKOBDXPPUJFF-OGMSWHEOSA-N. The full InChI is InChI=1S/C18H32O5Si/c1-16(2,3)24(7,8)23-18-10-12(20)14(15(21)22-6)11(19)9-13(18)17(18,4)5/h12-14,20H,9-10H2,1-8H3/t12?,13-,14?,18+/m0/s1.
What are the key properties of methyl (1R,7S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-8,8-dimethyl-5-oxobicyclo[5.1.0]octane-4-carboxylate?
methyl (1R,7S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-8,8-dimethyl-5-oxobicyclo[5.1.0]octane-4-carboxylate has a molecular weight of 356.54 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,7S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-8,8-dimethyl-5-oxobicyclo[5.1.0]octane-4-carboxylate is sourced from PubChem (CID 134835259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).