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

C16H32O5Si — CID 134845826

IUPAC5-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-hydroxypentan-3-one
SMILESCC1(C)OC[C@@H](C(O)CC(=O)CCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C16H32O5Si/c1-15(2,3)22(6,7)20-9-8-12(17)10-13(18)14-11-19-16(4,5)21-14/h13-14,18H,8-11H2,1-7H3/t13?,14-/m0/s1
InChIKeyDQIPXFXHFJJLJA-KZUDCZAMSA-N
MW332.51 g/mol
LogP2.87
Rot. Bonds7

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

5-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-hydroxypentan-3-one (PubChem CID 134845826) has the molecular formula C16H32O5Si and a molecular weight of 332.51 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-hydroxypentan-3-one.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-hydroxypentan-3-one
PubChem CID134845826
Molecular FormulaC16H32O5Si
Molecular Weight332.51 g/mol
Exact Mass332.20
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-hydroxypentan-3-one
SMILESCC1(C)OC[C@@H](C(O)CC(=O)CCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C16H32O5Si/c1-15(2,3)22(6,7)20-9-8-12(17)10-13(18)14-11-19-16(4,5)21-14/h13-14,18H,8-11H2,1-7H3/t13?,14-/m0/s1
InChIKeyDQIPXFXHFJJLJA-KZUDCZAMSA-N
XLogP2.87
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.51
LogP ≤ 52.87
H-Bond Donors ≤ 51
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 5-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-hydroxypentan-3-one?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-hydroxypentan-3-one (CID 134845826) is 5-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-hydroxypentan-3-one.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-hydroxypentan-3-one?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-hydroxypentan-3-one is CC1(C)OC[C@@H](C(O)CC(=O)CCO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-hydroxypentan-3-one?
The InChIKey is DQIPXFXHFJJLJA-KZUDCZAMSA-N. The full InChI is InChI=1S/C16H32O5Si/c1-15(2,3)22(6,7)20-9-8-12(17)10-13(18)14-11-19-16(4,5)21-14/h13-14,18H,8-11H2,1-7H3/t13?,14-/m0/s1.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-hydroxypentan-3-one?
5-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-hydroxypentan-3-one has a molecular weight of 332.51 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-hydroxypentan-3-one is sourced from PubChem (CID 134845826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).