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

C27H52O6Si — CID 10577338

IUPACmethyl (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
SMILESCOC(=O)[C@@H](C[C@@H]1O[C@@]2(C[C@H](C)CC[C@H]2C(C)C)O[C@@H]1CO[Si](C)(C)C(C)(C)C)OC(C)(C)C
InChIInChI=1S/C27H52O6Si/c1-18(2)20-14-13-19(3)16-27(20)32-21(15-22(24(28)29-10)31-25(4,5)6)23(33-27)17-30-34(11,12)26(7,8)9/h18-23H,13-17H2,1-12H3/t19-,20+,21+,22-,23-,27+/m1/s1
InChIKeyDCKHXOHJFSNYJL-VZPBSDDSSA-N
MW500.79 g/mol
LogP6.33
Rot. Bonds8

About 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

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 (PubChem CID 10577338) has the molecular formula C27H52O6Si and a molecular weight of 500.79 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namemethyl (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
PubChem CID10577338
Molecular FormulaC27H52O6Si
Molecular Weight500.79 g/mol
Exact Mass500.35
IUPAC Namemethyl (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
SMILESCOC(=O)[C@@H](C[C@@H]1O[C@@]2(C[C@H](C)CC[C@H]2C(C)C)O[C@@H]1CO[Si](C)(C)C(C)(C)C)OC(C)(C)C
InChIInChI=1S/C27H52O6Si/c1-18(2)20-14-13-19(3)16-27(20)32-21(15-22(24(28)29-10)31-25(4,5)6)23(33-27)17-30-34(11,12)26(7,8)9/h18-23H,13-17H2,1-12H3/t19-,20+,21+,22-,23-,27+/m1/s1
InChIKeyDCKHXOHJFSNYJL-VZPBSDDSSA-N
XLogP6.33
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.79
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
(1R,3S,7R,8R,9S,13S,14R,17R)-13-methoxy-8-(methoxymethoxy)-9,13,17-trimethyl-17-triethylsilyloxy-6,18-dioxatricyclo[12.3.1.03,7]octadecan-5-one
CID 135025771
methyl (1'R,2'S,4'aS,8'R,8'aS)-8'-[tert-butyl(dimethyl)silyl]oxy-2'-methylspiro[1,3-dioxolane-2,4'-2,3,4a,5,6,7,8,8a-octahydro-1H-naphthalene]-1'-carboxylate
CID 10386176
[(1R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[3-(methoxymethoxy)propyl]-7-oxo-6-oxabicyclo[3.2.1]octan-1-yl] acetate
CID 58774273
methyl (4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-methoxymethyl]-2-methoxy-5-methyloxane-2-carboxylate
CID 89715581
methyl (2R)-3-[(2S,3R,5S,6S,9R)-3-(hydroxymethyl)-9-methyl-6-propan-2-yl-1,4-dioxaspiro[4.5]decan-2-yl]-2-[(2-methylpropan-2-yl)oxy]propanoate
CID 10500376
(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]propanal
CID 10648068
(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]propanal
CID 10719179
(5R,6S,10R)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,8-dimethyl-4,7,9-trioxadispiro[4.0.46.45]tetradecan-3-one
CID 10786284
methyl (2S)-3-[(2R,3S,5R,6S,9R)-3-(hydroxymethyl)-9-methyl-6-propan-2-yl-1,4-dioxaspiro[4.5]decan-2-yl]-2-[(2-methylpropan-2-yl)oxy]propanoate
CID 10834054
(3aS,5S,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 101425659
(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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COC(=O)[C@@H](C[C@@H]1O[C@@]2(C[C@H](C)CC[C@H]2C(C)C)O[C@@H]1CO[Si](C)(C)C(C)(C)C)OC(C)(C)C.
What is the InChIKey of 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?
The InChIKey is DCKHXOHJFSNYJL-VZPBSDDSSA-N. The full InChI is InChI=1S/C27H52O6Si/c1-18(2)20-14-13-19(3)16-27(20)32-21(15-22(24(28)29-10)31-25(4,5)6)23(33-27)17-30-34(11,12)26(7,8)9/h18-23H,13-17H2,1-12H3/t19-,20+,21+,22-,23-,27+/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 500.79 g/mol, XLogP of 6.33, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 10577338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).