2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexanal

C18H40O3Si2 — CID 19922537

IUPAC2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexanal
SMILESCC(C)(C)[Si](C)(C)OCCCCC(C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H40O3Si2/c1-17(2,3)22(7,8)20-14-12-11-13-16(15-19)21-23(9,10)18(4,5)6/h15-16H,11-14H2,1-10H3
InChIKeyLYWXIKSANLVKHH-UHFFFAOYSA-N
MW360.69 g/mol
LogP5.77
Rot. Bonds9

About 2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexanal

2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexanal (PubChem CID 19922537) has the molecular formula C18H40O3Si2 and a molecular weight of 360.69 g/mol. Its IUPAC name is 2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexanal.

Molecular Properties

Compound Name2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexanal
PubChem CID19922537
Molecular FormulaC18H40O3Si2
Molecular Weight360.69 g/mol
Exact Mass360.25
IUPAC Name2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexanal
SMILESCC(C)(C)[Si](C)(C)OCCCCC(C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H40O3Si2/c1-17(2,3)22(7,8)20-14-12-11-13-16(15-19)21-23(9,10)18(4,5)6/h15-16H,11-14H2,1-10H3
InChIKeyLYWXIKSANLVKHH-UHFFFAOYSA-N
XLogP5.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.69
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[Tert-butyl(dimethyl)silyl]oxyheptanal
CID 11230305
(2S)-2-[tert-butyl(dimethyl)silyl]oxyheptanal
CID 10490533
(2R)-2-[tert-butyl(dimethyl)silyl]oxytetradecanal
CID 11772259
(2R)-2-[tert-butyl(dimethyl)silyl]oxyhexadecanal
CID 60195517
(3R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]heptanal
CID 138980516
2-[Tert-butyl(dimethyl)silyl]oxytridecanal
CID 170917454
(2S)-2-{[Tri(propan-2-yl)silyl]oxy}heptanal
CID 15259574
(2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexanal
CID 11824558
2-[Tert-butyl(dimethyl)silyl]oxydecanal
CID 14921120
2-[Tert-butyl(dimethyl)silyl]oxytetradecanal
CID 72988685
2-[Butyl(ditert-butyl)silyl]oxyhexanal
CID 10495503
(2R)-2-[tert-butyl(dimethyl)silyl]oxyheptanal
CID 10514471

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexanal?
The IUPAC name of 2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexanal (CID 19922537) is 2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexanal.
What is the SMILES notation for 2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexanal?
The canonical SMILES for 2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexanal is CC(C)(C)[Si](C)(C)OCCCCC(C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexanal?
The InChIKey is LYWXIKSANLVKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40O3Si2/c1-17(2,3)22(7,8)20-14-12-11-13-16(15-19)21-23(9,10)18(4,5)6/h15-16H,11-14H2,1-10H3.
What are the key properties of 2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexanal?
2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexanal has a molecular weight of 360.69 g/mol, XLogP of 5.77, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexanal is sourced from PubChem (CID 19922537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).