(2S,4S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentane-2,4-diol

C17H40O4Si2 — CID 135016182

IUPAC(2S,4S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentane-2,4-diol
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](O)C[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H40O4Si2/c1-16(2,3)22(7,8)20-12-14(18)11-15(19)13-21-23(9,10)17(4,5)6/h14-15,18-19H,11-13H2,1-10H3/t14-,15-/m0/s1
InChIKeyIDEIZHRFDBJJME-GJZGRUSLSA-N
MW364.68 g/mol
LogP4.14
Rot. Bonds8

About (2S,4S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentane-2,4-diol

(2S,4S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentane-2,4-diol (PubChem CID 135016182) has the molecular formula C17H40O4Si2 and a molecular weight of 364.68 g/mol. Its IUPAC name is (2S,4S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentane-2,4-diol.

Molecular Properties

Compound Name(2S,4S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentane-2,4-diol
PubChem CID135016182
Molecular FormulaC17H40O4Si2
Molecular Weight364.68 g/mol
Exact Mass364.25
IUPAC Name(2S,4S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentane-2,4-diol
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](O)C[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H40O4Si2/c1-16(2,3)22(7,8)20-12-14(18)11-15(19)13-21-23(9,10)17(4,5)6/h14-15,18-19H,11-13H2,1-10H3/t14-,15-/m0/s1
InChIKeyIDEIZHRFDBJJME-GJZGRUSLSA-N
XLogP4.14
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.68
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-1-ol
CID 135034831
3-[Ditert-butyl(fluoro)silyl]oxy-5-tri(propan-2-yl)silyloxypentan-1-ol
CID 10884632
(3S,4S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6,6,6-trifluorohexane-1,5-diol
CID 139681997
(3S,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6,6,6-trifluorohexane-1,5-diol
CID 139682001
(3S,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6,6,6-trifluorohexane-1,5-diol
CID 139682003
(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxypentane-1,2-diol
CID 11521515
(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypentane-1,2-diol
CID 11579557
(2R,3R)-3-[(1S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]butane-1,2,4-triol
CID 14061530
(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxypentane-1,2-diol
CID 44556689
4,6-Bis[[tert-butyl(dimethyl)silyl]oxy]hexan-1-ol
CID 86163752
3-Trimethylsilyloxy-2-tri(propan-2-yl)silylperoxybutan-1-ol
CID 101410809
3-Trimethylsilyloxy-2-tri(propan-2-yl)silylperoxypentan-1-ol
CID 101410810

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentane-2,4-diol?
The IUPAC name of (2S,4S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentane-2,4-diol (CID 135016182) is (2S,4S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentane-2,4-diol.
What is the SMILES notation for (2S,4S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentane-2,4-diol?
The canonical SMILES for (2S,4S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentane-2,4-diol is CC(C)(C)[Si](C)(C)OC[C@@H](O)C[C@H](O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,4S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentane-2,4-diol?
The InChIKey is IDEIZHRFDBJJME-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H40O4Si2/c1-16(2,3)22(7,8)20-12-14(18)11-15(19)13-21-23(9,10)17(4,5)6/h14-15,18-19H,11-13H2,1-10H3/t14-,15-/m0/s1.
What are the key properties of (2S,4S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentane-2,4-diol?
(2S,4S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentane-2,4-diol has a molecular weight of 364.68 g/mol, XLogP of 4.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentane-2,4-diol is sourced from PubChem (CID 135016182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).