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

C18H40O3Si2 — CID 11824558

IUPAC(2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexanal
SMILESCC(C)(C)[Si](C)(C)OCCCC[C@@H](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/t16-/m0/s1
InChIKeyLYWXIKSANLVKHH-INIZCTEOSA-N
MW360.69 g/mol
LogP5.77
Rot. Bonds9

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

(2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexanal (PubChem CID 11824558) has the molecular formula C18H40O3Si2 and a molecular weight of 360.69 g/mol. Its IUPAC name is (2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexanal.

Molecular Properties

Compound Name(2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexanal
PubChem CID11824558
Molecular FormulaC18H40O3Si2
Molecular Weight360.69 g/mol
Exact Mass360.25
IUPAC Name(2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexanal
SMILESCC(C)(C)[Si](C)(C)OCCCC[C@@H](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/t16-/m0/s1
InChIKeyLYWXIKSANLVKHH-INIZCTEOSA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexanal?
The IUPAC name of (2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexanal (CID 11824558) is (2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexanal.
What is the SMILES notation for (2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexanal?
The canonical SMILES for (2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexanal is CC(C)(C)[Si](C)(C)OCCCC[C@@H](C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexanal?
The InChIKey is LYWXIKSANLVKHH-INIZCTEOSA-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/t16-/m0/s1.
What are the key properties of (2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexanal?
(2S)-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 (2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexanal is sourced from PubChem (CID 11824558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).