2,3-bis[tri(propan-2-yl)silyloxy]octanal

C26H56O3Si2 — CID 174144539

IUPAC2,3-bis[tri(propan-2-yl)silyloxy]octanal
SMILESCCCCCC(O[Si](C(C)C)(C(C)C)C(C)C)C(C=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C26H56O3Si2/c1-14-15-16-17-25(28-30(19(2)3,20(4)5)21(6)7)26(18-27)29-31(22(8)9,23(10)11)24(12)13/h18-26H,14-17H2,1-13H3
InChIKeyRCOWCFMYLCBKHD-UHFFFAOYSA-N
MW472.90 g/mol
LogP8.89
Rot. Bonds16

About 2,3-bis[tri(propan-2-yl)silyloxy]octanal

2,3-bis[tri(propan-2-yl)silyloxy]octanal (PubChem CID 174144539) has the molecular formula C26H56O3Si2 and a molecular weight of 472.90 g/mol. Its IUPAC name is 2,3-bis[tri(propan-2-yl)silyloxy]octanal.

Molecular Properties

Compound Name2,3-bis[tri(propan-2-yl)silyloxy]octanal
PubChem CID174144539
Molecular FormulaC26H56O3Si2
Molecular Weight472.90 g/mol
Exact Mass472.38
IUPAC Name2,3-bis[tri(propan-2-yl)silyloxy]octanal
SMILESCCCCCC(O[Si](C(C)C)(C(C)C)C(C)C)C(C=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C26H56O3Si2/c1-14-15-16-17-25(28-30(19(2)3,20(4)5)21(6)7)26(18-27)29-31(22(8)9,23(10)11)24(12)13/h18-26H,14-17H2,1-13H3
InChIKeyRCOWCFMYLCBKHD-UHFFFAOYSA-N
XLogP8.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.90
LogP ≤ 58.89
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'}

Analyze 2,3-bis[tri(propan-2-yl)silyloxy]octanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(R)-3-(t-butyl-dimethylsiloxy)tetradecanal
CID 10893271
(3S)-3-(((1,1-Dimethylethyl)dimethylsilyl)oxy)tetradecanal
CID 11580953
2-Hydroxyoctanoic acid, 2TBDMS derivative
CID 91719363
(3R)-3-[tert-butyl(dimethyl)silyl]oxydecanal
CID 10803167
(2R)-2-[tert-butyl(dimethyl)silyl]oxytetradecanal
CID 11772259
(3S)-3-[tert-butyl(dimethyl)silyl]oxydecanal
CID 15308747
(3R)-3-[(Triethylsilyl)oxy]octanal
CID 15605975
(3S,7R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]octanal
CID 25257955
(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]octadecanal
CID 46180568
(2R)-2-[tert-butyl(dimethyl)silyl]oxyhexadecanal
CID 60195517
(3R,4S)-1,3,4-tris[[tert-butyl(dimethyl)silyl]oxy]octadecan-2-one
CID 134846351
(3S)-3-trimethylsilyloxynonanal
CID 134878697

Frequently Asked Questions

What is the IUPAC name of 2,3-bis[tri(propan-2-yl)silyloxy]octanal?
The IUPAC name of 2,3-bis[tri(propan-2-yl)silyloxy]octanal (CID 174144539) is 2,3-bis[tri(propan-2-yl)silyloxy]octanal.
What is the SMILES notation for 2,3-bis[tri(propan-2-yl)silyloxy]octanal?
The canonical SMILES for 2,3-bis[tri(propan-2-yl)silyloxy]octanal is CCCCCC(O[Si](C(C)C)(C(C)C)C(C)C)C(C=O)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 2,3-bis[tri(propan-2-yl)silyloxy]octanal?
The InChIKey is RCOWCFMYLCBKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H56O3Si2/c1-14-15-16-17-25(28-30(19(2)3,20(4)5)21(6)7)26(18-27)29-31(22(8)9,23(10)11)24(12)13/h18-26H,14-17H2,1-13H3.
What are the key properties of 2,3-bis[tri(propan-2-yl)silyloxy]octanal?
2,3-bis[tri(propan-2-yl)silyloxy]octanal has a molecular weight of 472.90 g/mol, XLogP of 8.89, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[tri(propan-2-yl)silyloxy]octanal is sourced from PubChem (CID 174144539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).