(3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-ol

C17H40O3Si2 — CID 11759848

IUPAC(3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-ol
SMILESCC(O)[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H40O3Si2/c1-14(18)15(20-22(10,11)17(5,6)7)12-13-19-21(8,9)16(2,3)4/h14-15,18H,12-13H2,1-11H3/t14?,15-/m0/s1
InChIKeyXSIVDABKKOENOH-LOACHALJSA-N
MW348.68 g/mol
LogP5.17
Rot. Bonds7

About (3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-ol

(3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-ol (PubChem CID 11759848) has the molecular formula C17H40O3Si2 and a molecular weight of 348.68 g/mol. Its IUPAC name is (3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-ol.

Molecular Properties

Compound Name(3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-ol
PubChem CID11759848
Molecular FormulaC17H40O3Si2
Molecular Weight348.68 g/mol
Exact Mass348.25
IUPAC Name(3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-ol
SMILESCC(O)[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H40O3Si2/c1-14(18)15(20-22(10,11)17(5,6)7)12-13-19-21(8,9)16(2,3)4/h14-15,18H,12-13H2,1-11H3/t14?,15-/m0/s1
InChIKeyXSIVDABKKOENOH-LOACHALJSA-N
XLogP5.17
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.68
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-ol?
The IUPAC name of (3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-ol (CID 11759848) is (3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-ol.
What is the SMILES notation for (3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-ol?
The canonical SMILES for (3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-ol is CC(O)[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-ol?
The InChIKey is XSIVDABKKOENOH-LOACHALJSA-N. The full InChI is InChI=1S/C17H40O3Si2/c1-14(18)15(20-22(10,11)17(5,6)7)12-13-19-21(8,9)16(2,3)4/h14-15,18H,12-13H2,1-11H3/t14?,15-/m0/s1.
What are the key properties of (3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-ol?
(3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-ol has a molecular weight of 348.68 g/mol, XLogP of 5.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-ol is sourced from PubChem (CID 11759848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).