ethyl 2-[(1S,2R,4aR,6S,8aS)-6-acetyloxy-5,5,8a-trimethyl-2'-trimethylsilyloxyspiro[3,4,4a,6,7,8-hexahydro-1H-naphthalene-2,1'-cyclopropane]-1-yl]acetate

C24H42O5Si — CID 164671695

IUPACethyl 2-[(1S,2R,4aR,6S,8aS)-6-acetyloxy-5,5,8a-trimethyl-2'-trimethylsilyloxyspiro[3,4,4a,6,7,8-hexahydro-1H-naphthalene-2,1'-cyclopropane]-1-yl]acetate
SMILESCCOC(=O)C[C@@H]1[C@@]2(CC[C@H]3C(C)(C)[C@@H](OC(C)=O)CC[C@]13C)CC2O[Si](C)(C)C
InChIInChI=1S/C24H42O5Si/c1-9-27-21(26)14-18-23(5)12-11-19(28-16(2)25)22(3,4)17(23)10-13-24(18)15-20(24)29-30(6,7)8/h17-20H,9-15H2,1-8H3/t17-,18-,19-,20?,23-,24+/m0/s1
InChIKeyNGSKXDVEDSFZIC-WLOZVARASA-N
MW438.68 g/mol
LogP5.33
Rot. Bonds6

About ethyl 2-[(1S,2R,4aR,6S,8aS)-6-acetyloxy-5,5,8a-trimethyl-2'-trimethylsilyloxyspiro[3,4,4a,6,7,8-hexahydro-1H-naphthalene-2,1'-cyclopropane]-1-yl]acetate

ethyl 2-[(1S,2R,4aR,6S,8aS)-6-acetyloxy-5,5,8a-trimethyl-2'-trimethylsilyloxyspiro[3,4,4a,6,7,8-hexahydro-1H-naphthalene-2,1'-cyclopropane]-1-yl]acetate (PubChem CID 164671695) has the molecular formula C24H42O5Si and a molecular weight of 438.68 g/mol. Its IUPAC name is ethyl 2-[(1S,2R,4aR,6S,8aS)-6-acetyloxy-5,5,8a-trimethyl-2'-trimethylsilyloxyspiro[3,4,4a,6,7,8-hexahydro-1H-naphthalene-2,1'-cyclopropane]-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(1S,2R,4aR,6S,8aS)-6-acetyloxy-5,5,8a-trimethyl-2'-trimethylsilyloxyspiro[3,4,4a,6,7,8-hexahydro-1H-naphthalene-2,1'-cyclopropane]-1-yl]acetate
PubChem CID164671695
Molecular FormulaC24H42O5Si
Molecular Weight438.68 g/mol
Exact Mass438.28
IUPAC Nameethyl 2-[(1S,2R,4aR,6S,8aS)-6-acetyloxy-5,5,8a-trimethyl-2'-trimethylsilyloxyspiro[3,4,4a,6,7,8-hexahydro-1H-naphthalene-2,1'-cyclopropane]-1-yl]acetate
SMILESCCOC(=O)C[C@@H]1[C@@]2(CC[C@H]3C(C)(C)[C@@H](OC(C)=O)CC[C@]13C)CC2O[Si](C)(C)C
InChIInChI=1S/C24H42O5Si/c1-9-27-21(26)14-18-23(5)12-11-19(28-16(2)25)22(3,4)17(23)10-13-24(18)15-20(24)29-30(6,7)8/h17-20H,9-15H2,1-8H3/t17-,18-,19-,20?,23-,24+/m0/s1
InChIKeyNGSKXDVEDSFZIC-WLOZVARASA-N
XLogP5.33
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.68
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 2-[(1S,2R,4aR,6S,8aS)-6-acetyloxy-5,5,8a-trimethyl-2'-trimethylsilyloxyspiro[3,4,4a,6,7,8-hexahydro-1H-naphthalene-2,1'-cyclopropane]-1-yl]acetate 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

(4aR,6aR,8S,10aS,10bR)-4a,7,7,10a-tetramethyl-8-triethylsilyloxy-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-3-one
CID 11133011
[(2R,4aS,5R,8aR)-4a-formyl-5-trimethylsilyloxy-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl] acetate
CID 134922819
methyl (4aR,6S,8aS)-6-[tert-butyl(dimethyl)silyl]oxy-5,5,8a-trimethyl-1-oxo-4a-trimethylsilyloxy-2,3,4,6,7,8-hexahydronaphthalene-2-carboxylate
CID 135016816
ethyl (3aS,5aS,8S,9aR,9bS)-8-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-3-oxo-3a,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][2]benzofuran-9a-carboxylate
CID 135035102
methyl 3-[(6R)-5a,9b-dimethyl-7-triethylsilyloxy-2-(triethylsilyloxymethyl)-1,2,3a,4,5,6,7,8,9,9a-decahydrobenzo[e][1]benzofuran-6-yl]propanoate
CID 162401719
3-[2-[tert-butyl(dimethyl)silyl]oxy-5-(3-methoxy-3-oxopropyl)-1,4a-dimethyl-6-oxo-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]propanoic acid
CID 162402329
diethyl (4S,4aR,5S,8aS)-4-ethynyl-4-methyl-5-tri(propan-2-yl)silyloxy-2,3,4a,5,6,7,8,8a-octahydronaphthalene-1,1-dicarboxylate
CID 168335424
Methyl 7,16-bis(acetyloxy)pimaran-18-oate
CID 288381
ent-7alpha-Hydroxy trachylobanic acid, Me-TMS
CID 91752486
methyl (1S,4aS,5R,7R,8aR)-7-[tert-butyl(dimethyl)silyl]oxy-1,4a-dimethyl-6-oxo-5-(3-oxobutyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate
CID 11524958
[(1S,4aS,5R,7R,8aR)-7-[tert-butyl(dimethyl)silyl]oxy-1,4a-dimethyl-6-oxo-5-(3-oxobutyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl acetate
CID 11690995
ethyl 2-[(1R,4aR,8S,8aS)-1,4a-dimethyl-2,5-dioxo-8-triethylsilyloxy-3,4,6,7,8,8a-hexahydronaphthalen-1-yl]acetate
CID 44195499

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1S,2R,4aR,6S,8aS)-6-acetyloxy-5,5,8a-trimethyl-2'-trimethylsilyloxyspiro[3,4,4a,6,7,8-hexahydro-1H-naphthalene-2,1'-cyclopropane]-1-yl]acetate?
The IUPAC name of ethyl 2-[(1S,2R,4aR,6S,8aS)-6-acetyloxy-5,5,8a-trimethyl-2'-trimethylsilyloxyspiro[3,4,4a,6,7,8-hexahydro-1H-naphthalene-2,1'-cyclopropane]-1-yl]acetate (CID 164671695) is ethyl 2-[(1S,2R,4aR,6S,8aS)-6-acetyloxy-5,5,8a-trimethyl-2'-trimethylsilyloxyspiro[3,4,4a,6,7,8-hexahydro-1H-naphthalene-2,1'-cyclopropane]-1-yl]acetate.
What is the SMILES notation for ethyl 2-[(1S,2R,4aR,6S,8aS)-6-acetyloxy-5,5,8a-trimethyl-2'-trimethylsilyloxyspiro[3,4,4a,6,7,8-hexahydro-1H-naphthalene-2,1'-cyclopropane]-1-yl]acetate?
The canonical SMILES for ethyl 2-[(1S,2R,4aR,6S,8aS)-6-acetyloxy-5,5,8a-trimethyl-2'-trimethylsilyloxyspiro[3,4,4a,6,7,8-hexahydro-1H-naphthalene-2,1'-cyclopropane]-1-yl]acetate is CCOC(=O)C[C@@H]1[C@@]2(CC[C@H]3C(C)(C)[C@@H](OC(C)=O)CC[C@]13C)CC2O[Si](C)(C)C.
What is the InChIKey of ethyl 2-[(1S,2R,4aR,6S,8aS)-6-acetyloxy-5,5,8a-trimethyl-2'-trimethylsilyloxyspiro[3,4,4a,6,7,8-hexahydro-1H-naphthalene-2,1'-cyclopropane]-1-yl]acetate?
The InChIKey is NGSKXDVEDSFZIC-WLOZVARASA-N. The full InChI is InChI=1S/C24H42O5Si/c1-9-27-21(26)14-18-23(5)12-11-19(28-16(2)25)22(3,4)17(23)10-13-24(18)15-20(24)29-30(6,7)8/h17-20H,9-15H2,1-8H3/t17-,18-,19-,20?,23-,24+/m0/s1.
What are the key properties of ethyl 2-[(1S,2R,4aR,6S,8aS)-6-acetyloxy-5,5,8a-trimethyl-2'-trimethylsilyloxyspiro[3,4,4a,6,7,8-hexahydro-1H-naphthalene-2,1'-cyclopropane]-1-yl]acetate?
ethyl 2-[(1S,2R,4aR,6S,8aS)-6-acetyloxy-5,5,8a-trimethyl-2'-trimethylsilyloxyspiro[3,4,4a,6,7,8-hexahydro-1H-naphthalene-2,1'-cyclopropane]-1-yl]acetate has a molecular weight of 438.68 g/mol, XLogP of 5.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1S,2R,4aR,6S,8aS)-6-acetyloxy-5,5,8a-trimethyl-2'-trimethylsilyloxyspiro[3,4,4a,6,7,8-hexahydro-1H-naphthalene-2,1'-cyclopropane]-1-yl]acetate is sourced from PubChem (CID 164671695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).