(2S,5S)-1,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexane-2,5-diol

C18H42O4Si2 — CID 14782111

IUPAC(2S,5S)-1,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexane-2,5-diol
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](O)CC[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H42O4Si2/c1-17(2,3)23(7,8)21-13-15(19)11-12-16(20)14-22-24(9,10)18(4,5)6/h15-16,19-20H,11-14H2,1-10H3/t15-,16-/m0/s1
InChIKeyRWYFELQNGQNQJI-HOTGVXAUSA-N
MW378.70 g/mol
LogP4.53
Rot. Bonds9

About (2S,5S)-1,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexane-2,5-diol

(2S,5S)-1,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexane-2,5-diol (PubChem CID 14782111) has the molecular formula C18H42O4Si2 and a molecular weight of 378.70 g/mol. Its IUPAC name is (2S,5S)-1,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexane-2,5-diol.

Molecular Properties

Compound Name(2S,5S)-1,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexane-2,5-diol
PubChem CID14782111
Molecular FormulaC18H42O4Si2
Molecular Weight378.70 g/mol
Exact Mass378.26
IUPAC Name(2S,5S)-1,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexane-2,5-diol
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](O)CC[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H42O4Si2/c1-17(2,3)23(7,8)21-13-15(19)11-12-16(20)14-22-24(9,10)18(4,5)6/h15-16,19-20H,11-14H2,1-10H3/t15-,16-/m0/s1
InChIKeyRWYFELQNGQNQJI-HOTGVXAUSA-N
XLogP4.53
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.70
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (2S,5S)-1,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexane-2,5-diol?
The IUPAC name of (2S,5S)-1,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexane-2,5-diol (CID 14782111) is (2S,5S)-1,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexane-2,5-diol.
What is the SMILES notation for (2S,5S)-1,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexane-2,5-diol?
The canonical SMILES for (2S,5S)-1,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexane-2,5-diol is CC(C)(C)[Si](C)(C)OC[C@@H](O)CC[C@H](O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,5S)-1,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexane-2,5-diol?
The InChIKey is RWYFELQNGQNQJI-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H42O4Si2/c1-17(2,3)23(7,8)21-13-15(19)11-12-16(20)14-22-24(9,10)18(4,5)6/h15-16,19-20H,11-14H2,1-10H3/t15-,16-/m0/s1.
What are the key properties of (2S,5S)-1,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexane-2,5-diol?
(2S,5S)-1,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexane-2,5-diol has a molecular weight of 378.70 g/mol, XLogP of 4.53, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-1,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexane-2,5-diol is sourced from PubChem (CID 14782111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).