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

C16H32O5Si — CID 58479496

IUPAC(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-hydroxypentan-3-one
SMILESCCC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1COC(C)(C)O1
InChIInChI=1S/C16H32O5Si/c1-9-11(17)14(21-22(7,8)15(2,3)4)13(18)12-10-19-16(5,6)20-12/h12-14,18H,9-10H2,1-8H3/t12-,13-,14-/m0/s1
InChIKeyPANGEFRHEHPABG-IHRRRGAJSA-N
MW332.51 g/mol
LogP2.87
Rot. Bonds6

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

(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-hydroxypentan-3-one (PubChem CID 58479496) has the molecular formula C16H32O5Si and a molecular weight of 332.51 g/mol. Its IUPAC name is (1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-hydroxypentan-3-one.

Molecular Properties

Compound Name(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-hydroxypentan-3-one
PubChem CID58479496
Molecular FormulaC16H32O5Si
Molecular Weight332.51 g/mol
Exact Mass332.20
IUPAC Name(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-hydroxypentan-3-one
SMILESCCC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1COC(C)(C)O1
InChIInChI=1S/C16H32O5Si/c1-9-11(17)14(21-22(7,8)15(2,3)4)13(18)12-10-19-16(5,6)20-12/h12-14,18H,9-10H2,1-8H3/t12-,13-,14-/m0/s1
InChIKeyPANGEFRHEHPABG-IHRRRGAJSA-N
XLogP2.87
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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 (1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-hydroxypentan-3-one?
The IUPAC name of (1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-hydroxypentan-3-one (CID 58479496) is (1S,2R)-2-[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 (1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-hydroxypentan-3-one?
The canonical SMILES for (1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-hydroxypentan-3-one is CCC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1COC(C)(C)O1.
What is the InChIKey of (1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-hydroxypentan-3-one?
The InChIKey is PANGEFRHEHPABG-IHRRRGAJSA-N. The full InChI is InChI=1S/C16H32O5Si/c1-9-11(17)14(21-22(7,8)15(2,3)4)13(18)12-10-19-16(5,6)20-12/h12-14,18H,9-10H2,1-8H3/t12-,13-,14-/m0/s1.
What are the key properties of (1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-hydroxypentan-3-one?
(1S,2R)-2-[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, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-hydroxypentan-3-one is sourced from PubChem (CID 58479496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).