(2S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-ol

C17H40O3Si2 — CID 163365178

IUPAC(2S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-ol
SMILESCC(C)(C)[Si](C)(C)OCCC[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H40O3Si2/c1-16(2,3)21(7,8)19-13-11-12-15(18)14-20-22(9,10)17(4,5)6/h15,18H,11-14H2,1-10H3/t15-/m0/s1
InChIKeyZBZVBOQVWJACPW-HNNXBMFYSA-N
MW348.68 g/mol
LogP5.17
Rot. Bonds8

About (2S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-ol

(2S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-ol (PubChem CID 163365178) has the molecular formula C17H40O3Si2 and a molecular weight of 348.68 g/mol. Its IUPAC name is (2S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-ol.

Molecular Properties

Compound Name(2S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-ol
PubChem CID163365178
Molecular FormulaC17H40O3Si2
Molecular Weight348.68 g/mol
Exact Mass348.25
IUPAC Name(2S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-ol
SMILESCC(C)(C)[Si](C)(C)OCCC[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H40O3Si2/c1-16(2,3)21(7,8)19-13-11-12-15(18)14-20-22(9,10)17(4,5)6/h15,18H,11-14H2,1-10H3/t15-/m0/s1
InChIKeyZBZVBOQVWJACPW-HNNXBMFYSA-N
XLogP5.17
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-ol?
The IUPAC name of (2S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-ol (CID 163365178) is (2S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-ol.
What is the SMILES notation for (2S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-ol?
The canonical SMILES for (2S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-ol is CC(C)(C)[Si](C)(C)OCCC[C@H](O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-ol?
The InChIKey is ZBZVBOQVWJACPW-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H40O3Si2/c1-16(2,3)21(7,8)19-13-11-12-15(18)14-20-22(9,10)17(4,5)6/h15,18H,11-14H2,1-10H3/t15-/m0/s1.
What are the key properties of (2S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-ol?
(2S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-ol has a molecular weight of 348.68 g/mol, XLogP of 5.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-ol is sourced from PubChem (CID 163365178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).