(2S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentanedial

C17H36O4Si2 — CID 154707128

IUPAC(2S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentanedial
SMILESCC(C)(C)[Si](C)(C)O[C@H](C=O)C[C@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36O4Si2/c1-16(2,3)22(7,8)20-14(12-18)11-15(13-19)21-23(9,10)17(4,5)6/h12-15H,11H2,1-10H3/t14-,15+
InChIKeyJZEGFQKZMJCBFZ-GASCZTMLSA-N
MW360.64 g/mol
LogP4.56
Rot. Bonds8

About (2S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentanedial

(2S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentanedial (PubChem CID 154707128) has the molecular formula C17H36O4Si2 and a molecular weight of 360.64 g/mol. Its IUPAC name is (2S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentanedial.

Molecular Properties

Compound Name(2S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentanedial
PubChem CID154707128
Molecular FormulaC17H36O4Si2
Molecular Weight360.64 g/mol
Exact Mass360.22
IUPAC Name(2S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentanedial
SMILESCC(C)(C)[Si](C)(C)O[C@H](C=O)C[C@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36O4Si2/c1-16(2,3)22(7,8)20-14(12-18)11-15(13-19)21-23(9,10)17(4,5)6/h12-15H,11H2,1-10H3/t14-,15+
InChIKeyJZEGFQKZMJCBFZ-GASCZTMLSA-N
XLogP4.56
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.64
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanal
CID 71761915
(2R,4R)-2,3,4-tris(trimethylsilyloxy)pentanedial
CID 100980675
(2S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal
CID 10641348
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-triethylsilyloxybutanal
CID 11131794
(2R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal
CID 25128505
2,5-Bis[[tert-butyl(dimethyl)silyl]oxy]pentanal
CID 71546566
(2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal
CID 101575524
(2R,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal
CID 101575525
(2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal
CID 101575526
(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal
CID 101575527
(2S,3R,4S)-2,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]pentanal
CID 102304391

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentanedial?
The IUPAC name of (2S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentanedial (CID 154707128) is (2S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentanedial.
What is the SMILES notation for (2S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentanedial?
The canonical SMILES for (2S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentanedial is CC(C)(C)[Si](C)(C)O[C@H](C=O)C[C@H](C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentanedial?
The InChIKey is JZEGFQKZMJCBFZ-GASCZTMLSA-N. The full InChI is InChI=1S/C17H36O4Si2/c1-16(2,3)22(7,8)20-14(12-18)11-15(13-19)21-23(9,10)17(4,5)6/h12-15H,11H2,1-10H3/t14-,15+.
What are the key properties of (2S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentanedial?
(2S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentanedial has a molecular weight of 360.64 g/mol, XLogP of 4.56, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentanedial is sourced from PubChem (CID 154707128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).