(3aS,5R,8R,9S,10R,10aR)-9-[tert-butyl(dimethyl)silyl]oxy-3a,5,8,10-tetramethylspiro[8,9,10,10a-tetrahydro-[1,3]dioxolo[4,5-e]oxonine-2,1'-cyclohexane]-4,6-dione

C24H42O6Si — CID 101425660

IUPAC(3aS,5R,8R,9S,10R,10aR)-9-[tert-butyl(dimethyl)silyl]oxy-3a,5,8,10-tetramethylspiro[8,9,10,10a-tetrahydro-[1,3]dioxolo[4,5-e]oxonine-2,1'-cyclohexane]-4,6-dione
SMILESC[C@H]1C(=O)O[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H]2OC3(CCCCC3)O[C@]2(C)C1=O
InChIInChI=1S/C24H42O6Si/c1-15-18(29-31(8,9)22(4,5)6)17(3)27-21(26)16(2)19(25)23(7)20(15)28-24(30-23)13-11-10-12-14-24/h15-18,20H,10-14H2,1-9H3/t15-,16+,17+,18-,20+,23+/m0/s1
InChIKeyPOWUHMXHXYXYLC-AXUDRJAESA-N
MW454.68 g/mol
LogP5.00
Rot. Bonds2

About (3aS,5R,8R,9S,10R,10aR)-9-[tert-butyl(dimethyl)silyl]oxy-3a,5,8,10-tetramethylspiro[8,9,10,10a-tetrahydro-[1,3]dioxolo[4,5-e]oxonine-2,1'-cyclohexane]-4,6-dione

(3aS,5R,8R,9S,10R,10aR)-9-[tert-butyl(dimethyl)silyl]oxy-3a,5,8,10-tetramethylspiro[8,9,10,10a-tetrahydro-[1,3]dioxolo[4,5-e]oxonine-2,1'-cyclohexane]-4,6-dione (PubChem CID 101425660) has the molecular formula C24H42O6Si and a molecular weight of 454.68 g/mol. Its IUPAC name is (3aS,5R,8R,9S,10R,10aR)-9-[tert-butyl(dimethyl)silyl]oxy-3a,5,8,10-tetramethylspiro[8,9,10,10a-tetrahydro-[1,3]dioxolo[4,5-e]oxonine-2,1'-cyclohexane]-4,6-dione.

Molecular Properties

Compound Name(3aS,5R,8R,9S,10R,10aR)-9-[tert-butyl(dimethyl)silyl]oxy-3a,5,8,10-tetramethylspiro[8,9,10,10a-tetrahydro-[1,3]dioxolo[4,5-e]oxonine-2,1'-cyclohexane]-4,6-dione
PubChem CID101425660
Molecular FormulaC24H42O6Si
Molecular Weight454.68 g/mol
Exact Mass454.28
IUPAC Name(3aS,5R,8R,9S,10R,10aR)-9-[tert-butyl(dimethyl)silyl]oxy-3a,5,8,10-tetramethylspiro[8,9,10,10a-tetrahydro-[1,3]dioxolo[4,5-e]oxonine-2,1'-cyclohexane]-4,6-dione
SMILESC[C@H]1C(=O)O[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H]2OC3(CCCCC3)O[C@]2(C)C1=O
InChIInChI=1S/C24H42O6Si/c1-15-18(29-31(8,9)22(4,5)6)17(3)27-21(26)16(2)19(25)23(7)20(15)28-24(30-23)13-11-10-12-14-24/h15-18,20H,10-14H2,1-9H3/t15-,16+,17+,18-,20+,23+/m0/s1
InChIKeyPOWUHMXHXYXYLC-AXUDRJAESA-N
XLogP5.00
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.68
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (3aS,5R,8R,9S,10R,10aR)-9-[tert-butyl(dimethyl)silyl]oxy-3a,5,8,10-tetramethylspiro[8,9,10,10a-tetrahydro-[1,3]dioxolo[4,5-e]oxonine-2,1'-cyclohexane]-4,6-dione 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 (2R)-3-[(2S,3R,5S,6S,9R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-methyl-6-propan-2-yl-1,4-dioxaspiro[4.5]decan-2-yl]-2-[(2-methylpropan-2-yl)oxy]propanoate
CID 10577338
methyl (2S)-3-[(2R,3S,5R,6S,9R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-methyl-6-propan-2-yl-1,4-dioxaspiro[4.5]decan-2-yl]-2-[(2-methylpropan-2-yl)oxy]propanoate
CID 10839130
methyl (1S,2S,6S,9R,11S)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-dimethyl-3,5,8,12-tetraoxatricyclo[7.3.0.02,6]dodecane-11-carboxylate
CID 17759245
methyl (2S)-2-[(3S)-3,3a,4-triacetyloxy-7-methoxy-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetate
CID 135015988
methyl (2R)-2-[(3S)-3,3a,4-triacetyloxy-7-methoxy-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetate
CID 135015991
methyl (2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-dodecyl-3-oxooxolane-2-carboxylate
CID 135020846
dimethyl (4R,5R)-2,2-dimethyl-4-(3-triethylsilyloxybutyl)-1,3-dioxolane-4,5-dicarboxylate
CID 155932018
ethyl (2R)-2-[(3aR,5S,7R,7aS)-2,2-dimethyl-4-oxo-7-triethylsilyloxy-5,6,7,7a-tetrahydro-3aH-1,3-benzodioxol-5-yl]-2-hydroxyacetate
CID 166449036
ethyl (2R)-2-[(3aR,5S,7R,7aS)-2,2-dimethyl-4-oxo-7-triethylsilyloxy-5,6,7,7a-tetrahydro-3aH-1,3-benzodioxol-5-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetate
CID 168333537
methyl (1R,3R,7R,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxy-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-1-carboxylate
CID 10621849
(3aR,7S,7aR)-3a-(5,5-dimethoxypentyl)-2,2,6-trimethyl-7-tri(propan-2-yl)silyloxy-5,6,7,7a-tetrahydro-1,3-benzodioxol-4-one
CID 159922925
7-O-tert-butyl 1-O-ethyl (1R,3R,4R,5R,7S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyl-2-oxo-6,8-dioxabicyclo[3.2.1]octane-1,7-dicarboxylate
CID 10531212

Frequently Asked Questions

What is the IUPAC name of (3aS,5R,8R,9S,10R,10aR)-9-[tert-butyl(dimethyl)silyl]oxy-3a,5,8,10-tetramethylspiro[8,9,10,10a-tetrahydro-[1,3]dioxolo[4,5-e]oxonine-2,1'-cyclohexane]-4,6-dione?
The IUPAC name of (3aS,5R,8R,9S,10R,10aR)-9-[tert-butyl(dimethyl)silyl]oxy-3a,5,8,10-tetramethylspiro[8,9,10,10a-tetrahydro-[1,3]dioxolo[4,5-e]oxonine-2,1'-cyclohexane]-4,6-dione (CID 101425660) is (3aS,5R,8R,9S,10R,10aR)-9-[tert-butyl(dimethyl)silyl]oxy-3a,5,8,10-tetramethylspiro[8,9,10,10a-tetrahydro-[1,3]dioxolo[4,5-e]oxonine-2,1'-cyclohexane]-4,6-dione.
What is the SMILES notation for (3aS,5R,8R,9S,10R,10aR)-9-[tert-butyl(dimethyl)silyl]oxy-3a,5,8,10-tetramethylspiro[8,9,10,10a-tetrahydro-[1,3]dioxolo[4,5-e]oxonine-2,1'-cyclohexane]-4,6-dione?
The canonical SMILES for (3aS,5R,8R,9S,10R,10aR)-9-[tert-butyl(dimethyl)silyl]oxy-3a,5,8,10-tetramethylspiro[8,9,10,10a-tetrahydro-[1,3]dioxolo[4,5-e]oxonine-2,1'-cyclohexane]-4,6-dione is C[C@H]1C(=O)O[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H]2OC3(CCCCC3)O[C@]2(C)C1=O.
What is the InChIKey of (3aS,5R,8R,9S,10R,10aR)-9-[tert-butyl(dimethyl)silyl]oxy-3a,5,8,10-tetramethylspiro[8,9,10,10a-tetrahydro-[1,3]dioxolo[4,5-e]oxonine-2,1'-cyclohexane]-4,6-dione?
The InChIKey is POWUHMXHXYXYLC-AXUDRJAESA-N. The full InChI is InChI=1S/C24H42O6Si/c1-15-18(29-31(8,9)22(4,5)6)17(3)27-21(26)16(2)19(25)23(7)20(15)28-24(30-23)13-11-10-12-14-24/h15-18,20H,10-14H2,1-9H3/t15-,16+,17+,18-,20+,23+/m0/s1.
What are the key properties of (3aS,5R,8R,9S,10R,10aR)-9-[tert-butyl(dimethyl)silyl]oxy-3a,5,8,10-tetramethylspiro[8,9,10,10a-tetrahydro-[1,3]dioxolo[4,5-e]oxonine-2,1'-cyclohexane]-4,6-dione?
(3aS,5R,8R,9S,10R,10aR)-9-[tert-butyl(dimethyl)silyl]oxy-3a,5,8,10-tetramethylspiro[8,9,10,10a-tetrahydro-[1,3]dioxolo[4,5-e]oxonine-2,1'-cyclohexane]-4,6-dione has a molecular weight of 454.68 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,5R,8R,9S,10R,10aR)-9-[tert-butyl(dimethyl)silyl]oxy-3a,5,8,10-tetramethylspiro[8,9,10,10a-tetrahydro-[1,3]dioxolo[4,5-e]oxonine-2,1'-cyclohexane]-4,6-dione is sourced from PubChem (CID 101425660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).