[3,7-dimethyl-8-[2-(6-oxo-4-trimethylsilyloxyoxan-2-yl)ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate

C28H46O5Si — CID 91723326

IUPAC[3,7-dimethyl-8-[2-(6-oxo-4-trimethylsilyloxyoxan-2-yl)ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O[Si](C)(C)C)CC(=O)O3)C21
InChIInChI=1S/C28H46O5Si/c1-9-28(4,5)27(30)32-24-15-18(2)14-20-11-10-19(3)23(26(20)24)13-12-21-16-22(17-25(29)31-21)33-34(6,7)8/h10-11,14,18-19,21-24,26H,9,12-13,15-17H2,1-8H3
InChIKeySUEDSISDIUMYSI-UHFFFAOYSA-N
MW490.76 g/mol
LogP6.44
Rot. Bonds8

About [3,7-dimethyl-8-[2-(6-oxo-4-trimethylsilyloxyoxan-2-yl)ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate

[3,7-dimethyl-8-[2-(6-oxo-4-trimethylsilyloxyoxan-2-yl)ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate (PubChem CID 91723326) has the molecular formula C28H46O5Si and a molecular weight of 490.76 g/mol. Its IUPAC name is [3,7-dimethyl-8-[2-(6-oxo-4-trimethylsilyloxyoxan-2-yl)ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate.

Molecular Properties

Compound Name[3,7-dimethyl-8-[2-(6-oxo-4-trimethylsilyloxyoxan-2-yl)ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate
PubChem CID91723326
Molecular FormulaC28H46O5Si
Molecular Weight490.76 g/mol
Exact Mass490.31
IUPAC Name[3,7-dimethyl-8-[2-(6-oxo-4-trimethylsilyloxyoxan-2-yl)ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O[Si](C)(C)C)CC(=O)O3)C21
InChIInChI=1S/C28H46O5Si/c1-9-28(4,5)27(30)32-24-15-18(2)14-20-11-10-19(3)23(26(20)24)13-12-21-16-22(17-25(29)31-21)33-34(6,7)8/h10-11,14,18-19,21-24,26H,9,12-13,15-17H2,1-8H3
InChIKeySUEDSISDIUMYSI-UHFFFAOYSA-N
XLogP6.44
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.76
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [3,7-dimethyl-8-[2-(6-oxo-4-trimethylsilyloxyoxan-2-yl)ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate 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

Lovastatin
CID 53232
Simvastatin
CID 54454
Mevastatin
CID 64715
Tenivastatin
CID 64718
8-(2-(4-Hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-3,7-dimethyl-1,2,3,7,8,8a-hexahydro-1-naphthalenyl 2,2-dimethylbutanoate
CID 4677798
ML-236B
CID 2854
2,2-Diethyl-pentanoic acid 8-[2-(4-hydroxy-6-oxo-tetrahydro-pyran-2-yl)-ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydro-naphthalen-1-yl ester
CID 13298846
Monacolin J
CID 9905162
Epilovastatin
CID 40785065
8-(2-(4-Hydroxy-6-oxooxan-2-yl)ethyl)-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2-methylbutanoate
CID 3962
Compactin diol lactone
CID 173651
L 669262
CID 131221

Frequently Asked Questions

What is the IUPAC name of [3,7-dimethyl-8-[2-(6-oxo-4-trimethylsilyloxyoxan-2-yl)ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate?
The IUPAC name of [3,7-dimethyl-8-[2-(6-oxo-4-trimethylsilyloxyoxan-2-yl)ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate (CID 91723326) is [3,7-dimethyl-8-[2-(6-oxo-4-trimethylsilyloxyoxan-2-yl)ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate.
What is the SMILES notation for [3,7-dimethyl-8-[2-(6-oxo-4-trimethylsilyloxyoxan-2-yl)ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate?
The canonical SMILES for [3,7-dimethyl-8-[2-(6-oxo-4-trimethylsilyloxyoxan-2-yl)ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O[Si](C)(C)C)CC(=O)O3)C21.
What is the InChIKey of [3,7-dimethyl-8-[2-(6-oxo-4-trimethylsilyloxyoxan-2-yl)ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate?
The InChIKey is SUEDSISDIUMYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H46O5Si/c1-9-28(4,5)27(30)32-24-15-18(2)14-20-11-10-19(3)23(26(20)24)13-12-21-16-22(17-25(29)31-21)33-34(6,7)8/h10-11,14,18-19,21-24,26H,9,12-13,15-17H2,1-8H3.
What are the key properties of [3,7-dimethyl-8-[2-(6-oxo-4-trimethylsilyloxyoxan-2-yl)ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate?
[3,7-dimethyl-8-[2-(6-oxo-4-trimethylsilyloxyoxan-2-yl)ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate has a molecular weight of 490.76 g/mol, XLogP of 6.44, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3,7-dimethyl-8-[2-(6-oxo-4-trimethylsilyloxyoxan-2-yl)ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate is sourced from PubChem (CID 91723326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).