(2S,3S,4S,5R,8S)-3-[tert-butyl(dimethyl)silyl]oxy-8-decyl-4-hydroxy-2-methoxy-1,7-dioxaspiro[4.4]nonan-6-one

C24H46O6Si — CID 11005013

IUPAC(2S,3S,4S,5R,8S)-3-[tert-butyl(dimethyl)silyl]oxy-8-decyl-4-hydroxy-2-methoxy-1,7-dioxaspiro[4.4]nonan-6-one
SMILESCCCCCCCCCC[C@H]1C[C@]2(O[C@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)C(=O)O1
InChIInChI=1S/C24H46O6Si/c1-8-9-10-11-12-13-14-15-16-18-17-24(22(26)28-18)20(25)19(21(27-5)29-24)30-31(6,7)23(2,3)4/h18-21,25H,8-17H2,1-7H3/t18-,19-,20-,21-,24+/m0/s1
InChIKeyZNNMOFNAILQSJG-IUVFILBMSA-N
MW458.71 g/mol
LogP5.33
Rot. Bonds12

About (2S,3S,4S,5R,8S)-3-[tert-butyl(dimethyl)silyl]oxy-8-decyl-4-hydroxy-2-methoxy-1,7-dioxaspiro[4.4]nonan-6-one

(2S,3S,4S,5R,8S)-3-[tert-butyl(dimethyl)silyl]oxy-8-decyl-4-hydroxy-2-methoxy-1,7-dioxaspiro[4.4]nonan-6-one (PubChem CID 11005013) has the molecular formula C24H46O6Si and a molecular weight of 458.71 g/mol. Its IUPAC name is (2S,3S,4S,5R,8S)-3-[tert-butyl(dimethyl)silyl]oxy-8-decyl-4-hydroxy-2-methoxy-1,7-dioxaspiro[4.4]nonan-6-one.

Molecular Properties

Compound Name(2S,3S,4S,5R,8S)-3-[tert-butyl(dimethyl)silyl]oxy-8-decyl-4-hydroxy-2-methoxy-1,7-dioxaspiro[4.4]nonan-6-one
PubChem CID11005013
Molecular FormulaC24H46O6Si
Molecular Weight458.71 g/mol
Exact Mass458.31
IUPAC Name(2S,3S,4S,5R,8S)-3-[tert-butyl(dimethyl)silyl]oxy-8-decyl-4-hydroxy-2-methoxy-1,7-dioxaspiro[4.4]nonan-6-one
SMILESCCCCCCCCCC[C@H]1C[C@]2(O[C@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)C(=O)O1
InChIInChI=1S/C24H46O6Si/c1-8-9-10-11-12-13-14-15-16-18-17-24(22(26)28-18)20(25)19(21(27-5)29-24)30-31(6,7)23(2,3)4/h18-21,25H,8-17H2,1-7H3/t18-,19-,20-,21-,24+/m0/s1
InChIKeyZNNMOFNAILQSJG-IUVFILBMSA-N
XLogP5.33
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.71
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2S,3S,4S,5R,8S)-3-[tert-butyl(dimethyl)silyl]oxy-8-decyl-4-hydroxy-2-methoxy-1,7-dioxaspiro[4.4]nonan-6-one 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

[(2R)-2-[(5S,8R)-6,9-dioxo-2-propan-2-yloxy-1,7-dioxaspiro[4.4]nonan-8-yl]-2-hydroxyethyl] hexadecanoate
CID 10481524
methyl (2S)-2-[(2S,5R)-5-[(2S)-5,5-diethoxy-2-hydroxypentan-2-yl]-2-ethyloxolan-2-yl]-2-hydroxyacetate
CID 134830572
methyl (2S)-2-[(2S,5R)-2-ethyl-5-[(2S)-5-methoxy-2-methyloxolan-2-yl]oxolan-2-yl]-2-hydroxyacetate
CID 134830573
methyl (2R,3S,4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-3-propan-2-yloxy-5-triethylsilyloxypentanoate
CID 134971266
methyl (2R,3S,4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxy-4-methyl-5-triethylsilyloxypentanoate
CID 134971288
methyl (1S,2R,4R,5R,6S,7R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxy-11-oxo-3,8,10,12-tetraoxatricyclo[5.3.3.01,7]tridecane-2-carboxylate
CID 134999130
methyl (2R,3S,4S,5R)-3-butan-2-yloxy-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-5-triethylsilyloxypentanoate
CID 135012656
dimethyl (5R)-4-hydroxy-2,2-dimethyl-5-(3-triethylsilyloxybutyl)-1,3-dioxolane-4,5-dicarboxylate
CID 155932020
dimethyl (2R,3R)-2-[(4R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxybutyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxybutanedioate
CID 58409702
dimethyl (2S,3S)-2-[(4R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxybutyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxybutanedioate
CID 58409718
dimethyl (2S,3S)-2-[(4R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyoctyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxybutanedioate
CID 67083214
Dimethyl 2-[5-[1-[tert-butyl(dimethyl)silyl]oxyoctyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxybutanedioate
CID 67083216

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R,8S)-3-[tert-butyl(dimethyl)silyl]oxy-8-decyl-4-hydroxy-2-methoxy-1,7-dioxaspiro[4.4]nonan-6-one?
The IUPAC name of (2S,3S,4S,5R,8S)-3-[tert-butyl(dimethyl)silyl]oxy-8-decyl-4-hydroxy-2-methoxy-1,7-dioxaspiro[4.4]nonan-6-one (CID 11005013) is (2S,3S,4S,5R,8S)-3-[tert-butyl(dimethyl)silyl]oxy-8-decyl-4-hydroxy-2-methoxy-1,7-dioxaspiro[4.4]nonan-6-one.
What is the SMILES notation for (2S,3S,4S,5R,8S)-3-[tert-butyl(dimethyl)silyl]oxy-8-decyl-4-hydroxy-2-methoxy-1,7-dioxaspiro[4.4]nonan-6-one?
The canonical SMILES for (2S,3S,4S,5R,8S)-3-[tert-butyl(dimethyl)silyl]oxy-8-decyl-4-hydroxy-2-methoxy-1,7-dioxaspiro[4.4]nonan-6-one is CCCCCCCCCC[C@H]1C[C@]2(O[C@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)C(=O)O1.
What is the InChIKey of (2S,3S,4S,5R,8S)-3-[tert-butyl(dimethyl)silyl]oxy-8-decyl-4-hydroxy-2-methoxy-1,7-dioxaspiro[4.4]nonan-6-one?
The InChIKey is ZNNMOFNAILQSJG-IUVFILBMSA-N. The full InChI is InChI=1S/C24H46O6Si/c1-8-9-10-11-12-13-14-15-16-18-17-24(22(26)28-18)20(25)19(21(27-5)29-24)30-31(6,7)23(2,3)4/h18-21,25H,8-17H2,1-7H3/t18-,19-,20-,21-,24+/m0/s1.
What are the key properties of (2S,3S,4S,5R,8S)-3-[tert-butyl(dimethyl)silyl]oxy-8-decyl-4-hydroxy-2-methoxy-1,7-dioxaspiro[4.4]nonan-6-one?
(2S,3S,4S,5R,8S)-3-[tert-butyl(dimethyl)silyl]oxy-8-decyl-4-hydroxy-2-methoxy-1,7-dioxaspiro[4.4]nonan-6-one has a molecular weight of 458.71 g/mol, XLogP of 5.33, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5R,8S)-3-[tert-butyl(dimethyl)silyl]oxy-8-decyl-4-hydroxy-2-methoxy-1,7-dioxaspiro[4.4]nonan-6-one is sourced from PubChem (CID 11005013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).