(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

C26H50O5Si — CID 10719179

IUPAC(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
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@@]12O[C@@H](C[C@H](C=O)OC(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O2
InChIInChI=1S/C26H50O5Si/c1-18(2)21-13-12-19(3)15-26(21)30-22(14-20(16-27)29-24(4,5)6)23(31-26)17-28-32(10,11)25(7,8)9/h16,18-23H,12-15,17H2,1-11H3/t19-,20-,21+,22+,23-,26+/m1/s1
InChIKeyLOQVQOPWJQMXAU-KQGNZNRPSA-N
MW470.77 g/mol
LogP6.35
Rot. Bonds8

About (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

(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 (PubChem CID 10719179) has the molecular formula C26H50O5Si and a molecular weight of 470.77 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID10719179
Molecular FormulaC26H50O5Si
Molecular Weight470.77 g/mol
Exact Mass470.34
IUPAC Name(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
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@@]12O[C@@H](C[C@H](C=O)OC(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O2
InChIInChI=1S/C26H50O5Si/c1-18(2)21-13-12-19(3)15-26(21)30-22(14-20(16-27)29-24(4,5)6)23(31-26)17-28-32(10,11)25(7,8)9/h16,18-23H,12-15,17H2,1-11H3/t19-,20-,21+,22+,23-,26+/m1/s1
InChIKeyLOQVQOPWJQMXAU-KQGNZNRPSA-N
XLogP6.35
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.77
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)[C@@H]1CC[C@@H](C)C[C@@]12O[C@@H](C[C@H](C=O)OC(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O2.
What is the InChIKey of (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?
The InChIKey is LOQVQOPWJQMXAU-KQGNZNRPSA-N. The full InChI is InChI=1S/C26H50O5Si/c1-18(2)21-13-12-19(3)15-26(21)30-22(14-20(16-27)29-24(4,5)6)23(31-26)17-28-32(10,11)25(7,8)9/h16,18-23H,12-15,17H2,1-11H3/t19-,20-,21+,22+,23-,26+/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 470.77 g/mol, XLogP of 6.35, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 10719179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).