methyl (5S,6R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-6-methylspiro[4.5]dec-3-ene-3-carboxylate

C19H34O3Si — CID 24748930

IUPACmethyl (5S,6R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-6-methylspiro[4.5]dec-3-ene-3-carboxylate
SMILESCOC(=O)C1=C[C@]2(CC1)[C@H](C)CCC[C@H]2O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H34O3Si/c1-14-9-8-10-16(22-23(6,7)18(2,3)4)19(14)12-11-15(13-19)17(20)21-5/h13-14,16H,8-12H2,1-7H3/t14-,16-,19-/m1/s1
InChIKeyYSYBIWLMAZMSMB-IDHHARJASA-N
MW338.56 g/mol
LogP5.08
Rot. Bonds3

About methyl (5S,6R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-6-methylspiro[4.5]dec-3-ene-3-carboxylate

methyl (5S,6R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-6-methylspiro[4.5]dec-3-ene-3-carboxylate (PubChem CID 24748930) has the molecular formula C19H34O3Si and a molecular weight of 338.56 g/mol. Its IUPAC name is methyl (5S,6R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-6-methylspiro[4.5]dec-3-ene-3-carboxylate.

Molecular Properties

Compound Namemethyl (5S,6R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-6-methylspiro[4.5]dec-3-ene-3-carboxylate
PubChem CID24748930
Molecular FormulaC19H34O3Si
Molecular Weight338.56 g/mol
Exact Mass338.23
IUPAC Namemethyl (5S,6R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-6-methylspiro[4.5]dec-3-ene-3-carboxylate
SMILESCOC(=O)C1=C[C@]2(CC1)[C@H](C)CCC[C@H]2O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H34O3Si/c1-14-9-8-10-16(22-23(6,7)18(2,3)4)19(14)12-11-15(13-19)17(20)21-5/h13-14,16H,8-12H2,1-7H3/t14-,16-,19-/m1/s1
InChIKeyYSYBIWLMAZMSMB-IDHHARJASA-N
XLogP5.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.56
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (5S,6R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-6-methylspiro[4.5]dec-3-ene-3-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

[(1R,2R,4aS,5R,8aS)-5-[2-acetyloxy-2-(5-oxo-2H-furan-4-yl)ethyl]-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl] acetate
CID 171346690
[(1R,2R,8aR)-1,8a-dimethyl-6-oxo-7-propan-2-ylidene-2,3,4,8-tetrahydro-1H-naphthalen-2-yl] (Z,4R)-5-acetyloxy-4-methylpent-2-enoate
CID 162897986
[(1S,2S,8aS)-1,8a-dimethyl-6-oxo-7-propan-2-ylidene-2,3,4,8-tetrahydro-1H-naphthalen-2-yl] (E,4S)-5-acetyloxy-4-methylpent-2-enoate
CID 162897987
[(1S,2S,7R,8aS)-1,8a-dimethyl-6-oxo-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydronaphthalen-2-yl] (E,4R)-5-acetyloxy-4-methylpent-2-enoate
CID 163048272
[(1R,2R,7S,8aR)-1,8a-dimethyl-6-oxo-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydronaphthalen-2-yl] (Z,4R)-5-acetyloxy-4-methylpent-2-enoate
CID 163048273
methyl (Z)-5-[(1S,2R,4R,6R)-2-acetyloxy-6-[(2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]-4-methylcyclohexyl]-2-methyl-4-oxopent-2-enoate
CID 11397756
3-[2-[(1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-1,2-dimethylcyclohexyl]ethyl]-2H-furan-5-one
CID 76323216
methyl (3R,3aR)-3a-methyl-3-propan-2-yl-5a-triethylsilyloxy-2,3,4,5,6,7-hexahydrobenzo[f]azulene-9-carboxylate
CID 11247441
ethyl (3aS,4R,6S,7aR)-6-[tert-butyl(dimethyl)silyl]oxy-3a,4-dimethyl-1,4,5,6,7,7a-hexahydroindene-2-carboxylate
CID 56956557
methyl (Z)-3-[(1R,3aR,4R,5R,7aR)-4-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-7a-methyl-1-propan-2-yl-1,2,3,3a,4,5,6,7-octahydroinden-5-yl]but-2-enoate
CID 134918631
[(1R,3S,5S,8S,10S)-8,12,15,15-tetramethyl-4-methylidene-13-oxo-10-triethylsilyloxy-5-tricyclo[9.3.1.03,8]pentadec-11-enyl] acetate
CID 134949589
methyl (3R,3aR,5aR)-3-[tert-butyl(dimethyl)silyl]oxy-3a,5a-dimethyl-6-oxo-1-propan-2-yl-3,4,5,7-tetrahydro-2H-cyclohepta[e]indene-8-carboxylate
CID 138980362

Frequently Asked Questions

What is the IUPAC name of methyl (5S,6R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-6-methylspiro[4.5]dec-3-ene-3-carboxylate?
The IUPAC name of methyl (5S,6R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-6-methylspiro[4.5]dec-3-ene-3-carboxylate (CID 24748930) is methyl (5S,6R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-6-methylspiro[4.5]dec-3-ene-3-carboxylate.
What is the SMILES notation for methyl (5S,6R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-6-methylspiro[4.5]dec-3-ene-3-carboxylate?
The canonical SMILES for methyl (5S,6R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-6-methylspiro[4.5]dec-3-ene-3-carboxylate is COC(=O)C1=C[C@]2(CC1)[C@H](C)CCC[C@H]2O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (5S,6R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-6-methylspiro[4.5]dec-3-ene-3-carboxylate?
The InChIKey is YSYBIWLMAZMSMB-IDHHARJASA-N. The full InChI is InChI=1S/C19H34O3Si/c1-14-9-8-10-16(22-23(6,7)18(2,3)4)19(14)12-11-15(13-19)17(20)21-5/h13-14,16H,8-12H2,1-7H3/t14-,16-,19-/m1/s1.
What are the key properties of methyl (5S,6R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-6-methylspiro[4.5]dec-3-ene-3-carboxylate?
methyl (5S,6R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-6-methylspiro[4.5]dec-3-ene-3-carboxylate has a molecular weight of 338.56 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5S,6R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-6-methylspiro[4.5]dec-3-ene-3-carboxylate is sourced from PubChem (CID 24748930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).