(2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexan-1-ol

C18H42O3Si2 — CID 57230096

IUPAC(2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexan-1-ol
SMILESCC(C)(C)[Si](C)(C)OCCCC[C@@H](CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H42O3Si2/c1-17(2,3)22(7,8)20-14-12-11-13-16(15-19)21-23(9,10)18(4,5)6/h16,19H,11-15H2,1-10H3/t16-/m0/s1
InChIKeyWLMNODUIIALDLB-INIZCTEOSA-N
MW362.70 g/mol
LogP5.56
Rot. Bonds9

About (2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexan-1-ol

(2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexan-1-ol (PubChem CID 57230096) has the molecular formula C18H42O3Si2 and a molecular weight of 362.70 g/mol. Its IUPAC name is (2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexan-1-ol.

Molecular Properties

Compound Name(2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexan-1-ol
PubChem CID57230096
Molecular FormulaC18H42O3Si2
Molecular Weight362.70 g/mol
Exact Mass362.27
IUPAC Name(2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexan-1-ol
SMILESCC(C)(C)[Si](C)(C)OCCCC[C@@H](CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H42O3Si2/c1-17(2,3)22(7,8)20-14-12-11-13-16(15-19)21-23(9,10)18(4,5)6/h16,19H,11-15H2,1-10H3/t16-/m0/s1
InChIKeyWLMNODUIIALDLB-INIZCTEOSA-N
XLogP5.56
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.70
LogP ≤ 55.56
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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Related Compounds

2-Hexanol, 6-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 10376666
(5R)-5-[tert-butyl(dimethyl)silyl]oxyhexan-1-ol
CID 11264771
(5S)-5-[tert-butyl(dimethyl)silyl]oxyhexan-1-ol
CID 101479286
(3R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-1-ol
CID 135034831
(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
1,5-Bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-ol
CID 174186395
(2R,3R)-3-[(1S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]butane-1,2,4-triol
CID 14061530
(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxyhexane-1,2-diol
CID 44604185
4,6-Bis[[tert-butyl(dimethyl)silyl]oxy]hexan-1-ol
CID 86163752
(2S)-1-[tert-butyl(dimethyl)silyl]oxyundecan-2-ol
CID 101544998

Frequently Asked Questions

What is the IUPAC name of (2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexan-1-ol?
The IUPAC name of (2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexan-1-ol (CID 57230096) is (2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexan-1-ol.
What is the SMILES notation for (2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexan-1-ol?
The canonical SMILES for (2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexan-1-ol is CC(C)(C)[Si](C)(C)OCCCC[C@@H](CO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexan-1-ol?
The InChIKey is WLMNODUIIALDLB-INIZCTEOSA-N. The full InChI is InChI=1S/C18H42O3Si2/c1-17(2,3)22(7,8)20-14-12-11-13-16(15-19)21-23(9,10)18(4,5)6/h16,19H,11-15H2,1-10H3/t16-/m0/s1.
What are the key properties of (2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexan-1-ol?
(2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexan-1-ol has a molecular weight of 362.70 g/mol, XLogP of 5.56, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexan-1-ol is sourced from PubChem (CID 57230096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).