(3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxy-7-propan-2-yl-2,3,8,8a-tetrahydro-1H-indolizin-5-one

C18H33NO3Si — CID 10783302

IUPAC(3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxy-7-propan-2-yl-2,3,8,8a-tetrahydro-1H-indolizin-5-one
SMILESCC(C)C1=C(O)C(=O)N2C(CC[C@H]2CO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C18H33NO3Si/c1-12(2)15-10-13-8-9-14(19(13)17(21)16(15)20)11-22-23(6,7)18(3,4)5/h12-14,20H,8-11H2,1-7H3/t13?,14-/m0/s1
InChIKeySSTJDBVSSRWAHR-KZUDCZAMSA-N
MW339.55 g/mol
LogP4.24
Rot. Bonds4

About (3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxy-7-propan-2-yl-2,3,8,8a-tetrahydro-1H-indolizin-5-one

(3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxy-7-propan-2-yl-2,3,8,8a-tetrahydro-1H-indolizin-5-one (PubChem CID 10783302) has the molecular formula C18H33NO3Si and a molecular weight of 339.55 g/mol. Its IUPAC name is (3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxy-7-propan-2-yl-2,3,8,8a-tetrahydro-1H-indolizin-5-one.

Molecular Properties

Compound Name(3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxy-7-propan-2-yl-2,3,8,8a-tetrahydro-1H-indolizin-5-one
PubChem CID10783302
Molecular FormulaC18H33NO3Si
Molecular Weight339.55 g/mol
Exact Mass339.22
IUPAC Name(3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxy-7-propan-2-yl-2,3,8,8a-tetrahydro-1H-indolizin-5-one
SMILESCC(C)C1=C(O)C(=O)N2C(CC[C@H]2CO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C18H33NO3Si/c1-12(2)15-10-13-8-9-14(19(13)17(21)16(15)20)11-22-23(6,7)18(3,4)5/h12-14,20H,8-11H2,1-7H3/t13?,14-/m0/s1
InChIKeySSTJDBVSSRWAHR-KZUDCZAMSA-N
XLogP4.24
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.55
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[(2S)-1-[[(3S,8aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-7-propan-2-yl-2,3,8,8a-tetrahydro-1H-indolizin-6-yl]amino]-1-oxopropan-2-yl]carbamate
CID 10816345
tert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxypyrrolidine-1-carboxylate
CID 67633255
tert-butyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepiperidine-1-carboxylate
CID 66733909
tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyl-2-oxopyrrolidine-1-carboxylate
CID 66622874
tert-butyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-cyanopyrrolidine-1-carboxylate
CID 132515167
tert-butyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyrrole-1-carboxylate
CID 10852705
tert-butyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(113C)methyl-5-oxo-2H-pyrrole-1-carboxylate
CID 10947872
tert-butyl (1S,2S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-azabicyclo[3.2.0]heptane-3-carboxylate
CID 101491824
1-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridin-4-yl]-2-chloroethanone
CID 58782054
(1S,2R,5R)-2-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-one
CID 10638952
tert-butyl (2R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carboxylate
CID 10646738
tert-butyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopiperazine-1-carboxylate
CID 170904003

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxy-7-propan-2-yl-2,3,8,8a-tetrahydro-1H-indolizin-5-one?
The IUPAC name of (3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxy-7-propan-2-yl-2,3,8,8a-tetrahydro-1H-indolizin-5-one (CID 10783302) is (3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxy-7-propan-2-yl-2,3,8,8a-tetrahydro-1H-indolizin-5-one.
What is the SMILES notation for (3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxy-7-propan-2-yl-2,3,8,8a-tetrahydro-1H-indolizin-5-one?
The canonical SMILES for (3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxy-7-propan-2-yl-2,3,8,8a-tetrahydro-1H-indolizin-5-one is CC(C)C1=C(O)C(=O)N2C(CC[C@H]2CO[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of (3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxy-7-propan-2-yl-2,3,8,8a-tetrahydro-1H-indolizin-5-one?
The InChIKey is SSTJDBVSSRWAHR-KZUDCZAMSA-N. The full InChI is InChI=1S/C18H33NO3Si/c1-12(2)15-10-13-8-9-14(19(13)17(21)16(15)20)11-22-23(6,7)18(3,4)5/h12-14,20H,8-11H2,1-7H3/t13?,14-/m0/s1.
What are the key properties of (3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxy-7-propan-2-yl-2,3,8,8a-tetrahydro-1H-indolizin-5-one?
(3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxy-7-propan-2-yl-2,3,8,8a-tetrahydro-1H-indolizin-5-one has a molecular weight of 339.55 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxy-7-propan-2-yl-2,3,8,8a-tetrahydro-1H-indolizin-5-one is sourced from PubChem (CID 10783302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).