(3S,7R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]octanal

C20H44O3Si2 — CID 25257955

IUPAC(3S,7R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]octanal
SMILESC[C@H](CCC[C@@H](CC=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H44O3Si2/c1-17(22-24(8,9)19(2,3)4)13-12-14-18(15-16-21)23-25(10,11)20(5,6)7/h16-18H,12-15H2,1-11H3/t17-,18+/m1/s1
InChIKeyVHNZJFBASKVESV-MSOLQXFVSA-N
MW388.74 g/mol
LogP6.55
Rot. Bonds10

About (3S,7R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]octanal

(3S,7R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]octanal (PubChem CID 25257955) has the molecular formula C20H44O3Si2 and a molecular weight of 388.74 g/mol. Its IUPAC name is (3S,7R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]octanal.

Molecular Properties

Compound Name(3S,7R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]octanal
PubChem CID25257955
Molecular FormulaC20H44O3Si2
Molecular Weight388.74 g/mol
Exact Mass388.28
IUPAC Name(3S,7R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]octanal
SMILESC[C@H](CCC[C@@H](CC=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H44O3Si2/c1-17(22-24(8,9)19(2,3)4)13-12-14-18(15-16-21)23-25(10,11)20(5,6)7/h16-18H,12-15H2,1-11H3/t17-,18+/m1/s1
InChIKeyVHNZJFBASKVESV-MSOLQXFVSA-N
XLogP6.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.74
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3S,7R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]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-[tert-butyl(dimethyl)silyl]oxyoctanal
CID 11345944
(3S)-3-(((1,1-Dimethylethyl)dimethylsilyl)oxy)tetradecanal
CID 11580953
(3R)-3-[tert-butyl(dimethyl)silyl]oxydecanal
CID 10803167
10-t-Butyldimethylsiloxydecanal
CID 11426202
(2R)-2-[tert-butyl(dimethyl)silyl]oxytetradecanal
CID 11772259
(3R,5R,7R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5-triethylsilyloxyoctanal
CID 11988980
(3S)-3-[tert-butyl(dimethyl)silyl]oxydecanal
CID 15308747
(3R)-3-[(Triethylsilyl)oxy]octanal
CID 15605975
(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]octadecanal
CID 46180568
(7S)-7-[tert-butyl(dimethyl)silyl]oxyoctanal
CID 56837874
(2R)-2-[tert-butyl(dimethyl)silyl]oxyhexadecanal
CID 60195517

Frequently Asked Questions

What is the IUPAC name of (3S,7R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]octanal?
The IUPAC name of (3S,7R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]octanal (CID 25257955) is (3S,7R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]octanal.
What is the SMILES notation for (3S,7R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]octanal?
The canonical SMILES for (3S,7R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]octanal is C[C@H](CCC[C@@H](CC=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S,7R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]octanal?
The InChIKey is VHNZJFBASKVESV-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H44O3Si2/c1-17(22-24(8,9)19(2,3)4)13-12-14-18(15-16-21)23-25(10,11)20(5,6)7/h16-18H,12-15H2,1-11H3/t17-,18+/m1/s1.
What are the key properties of (3S,7R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]octanal?
(3S,7R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]octanal has a molecular weight of 388.74 g/mol, XLogP of 6.55, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,7R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]octanal is sourced from PubChem (CID 25257955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).