(2S,6S)-2-[tert-butyl(dimethyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dimethyl-2H-pyran-5-one

C18H32O5Si — CID 11728007

IUPAC(2S,6S)-2-[tert-butyl(dimethyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dimethyl-2H-pyran-5-one
SMILESCC1=C(C)[C@H](O[Si](C)(C)C(C)(C)C)O[C@@H]([C@@H]2COC(C)(C)O2)C1=O
InChIInChI=1S/C18H32O5Si/c1-11-12(2)16(23-24(8,9)17(3,4)5)21-15(14(11)19)13-10-20-18(6,7)22-13/h13,15-16H,10H2,1-9H3/t13-,15-,16-/m0/s1
InChIKeySESBMYZSNWHTIU-BPUTZDHNSA-N
MW356.54 g/mol
LogP3.79
Rot. Bonds3

About (2S,6S)-2-[tert-butyl(dimethyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dimethyl-2H-pyran-5-one

(2S,6S)-2-[tert-butyl(dimethyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dimethyl-2H-pyran-5-one (PubChem CID 11728007) has the molecular formula C18H32O5Si and a molecular weight of 356.54 g/mol. Its IUPAC name is (2S,6S)-2-[tert-butyl(dimethyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dimethyl-2H-pyran-5-one.

Molecular Properties

Compound Name(2S,6S)-2-[tert-butyl(dimethyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dimethyl-2H-pyran-5-one
PubChem CID11728007
Molecular FormulaC18H32O5Si
Molecular Weight356.54 g/mol
Exact Mass356.20
IUPAC Name(2S,6S)-2-[tert-butyl(dimethyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dimethyl-2H-pyran-5-one
SMILESCC1=C(C)[C@H](O[Si](C)(C)C(C)(C)C)O[C@@H]([C@@H]2COC(C)(C)O2)C1=O
InChIInChI=1S/C18H32O5Si/c1-11-12(2)16(23-24(8,9)17(3,4)5)21-15(14(11)19)13-10-20-18(6,7)22-13/h13,15-16H,10H2,1-9H3/t13-,15-,16-/m0/s1
InChIKeySESBMYZSNWHTIU-BPUTZDHNSA-N
XLogP3.79
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.54
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2-[tert-butyl(dimethyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dimethyl-2H-pyran-5-one?
The IUPAC name of (2S,6S)-2-[tert-butyl(dimethyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dimethyl-2H-pyran-5-one (CID 11728007) is (2S,6S)-2-[tert-butyl(dimethyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dimethyl-2H-pyran-5-one.
What is the SMILES notation for (2S,6S)-2-[tert-butyl(dimethyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dimethyl-2H-pyran-5-one?
The canonical SMILES for (2S,6S)-2-[tert-butyl(dimethyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dimethyl-2H-pyran-5-one is CC1=C(C)[C@H](O[Si](C)(C)C(C)(C)C)O[C@@H]([C@@H]2COC(C)(C)O2)C1=O.
What is the InChIKey of (2S,6S)-2-[tert-butyl(dimethyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dimethyl-2H-pyran-5-one?
The InChIKey is SESBMYZSNWHTIU-BPUTZDHNSA-N. The full InChI is InChI=1S/C18H32O5Si/c1-11-12(2)16(23-24(8,9)17(3,4)5)21-15(14(11)19)13-10-20-18(6,7)22-13/h13,15-16H,10H2,1-9H3/t13-,15-,16-/m0/s1.
What are the key properties of (2S,6S)-2-[tert-butyl(dimethyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dimethyl-2H-pyran-5-one?
(2S,6S)-2-[tert-butyl(dimethyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dimethyl-2H-pyran-5-one has a molecular weight of 356.54 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2-[tert-butyl(dimethyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dimethyl-2H-pyran-5-one is sourced from PubChem (CID 11728007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).