(3S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-10-methylundecanal

C24H52O3Si2 — CID 101384249

IUPAC(3S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-10-methylundecanal
SMILESCC(C)CCC[C@H](CC[C@@H](CC=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H52O3Si2/c1-20(2)14-13-15-21(26-28(9,10)23(3,4)5)16-17-22(18-19-25)27-29(11,12)24(6,7)8/h19-22H,13-18H2,1-12H3/t21-,22+/m1/s1
InChIKeyIPPWVGSOLRHUEC-YADHBBJMSA-N
MW444.85 g/mol
LogP7.96
Rot. Bonds13

About (3S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-10-methylundecanal

(3S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-10-methylundecanal (PubChem CID 101384249) has the molecular formula C24H52O3Si2 and a molecular weight of 444.85 g/mol. Its IUPAC name is (3S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-10-methylundecanal.

Molecular Properties

Compound Name(3S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-10-methylundecanal
PubChem CID101384249
Molecular FormulaC24H52O3Si2
Molecular Weight444.85 g/mol
Exact Mass444.35
IUPAC Name(3S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-10-methylundecanal
SMILESCC(C)CCC[C@H](CC[C@@H](CC=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H52O3Si2/c1-20(2)14-13-15-21(26-28(9,10)23(3,4)5)16-17-22(18-19-25)27-29(11,12)24(6,7)8/h19-22H,13-18H2,1-12H3/t21-,22+/m1/s1
InChIKeyIPPWVGSOLRHUEC-YADHBBJMSA-N
XLogP7.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.85
LogP ≤ 57.96
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,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-10-methylundecanal 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

(4R)-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnonanal
CID 11558306
(3R,8R)-3-[tert-butyl(dimethyl)silyl]oxy-8-phenylmethoxydecanedial
CID 101138351
(3R)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-ynal
CID 11218406
(5S)-5-[tert-butyl(dimethyl)silyl]oxyheptanal
CID 11021146
tert-butyl-[(4S,7R)-4-[tert-butyl(dimethyl)silyl]oxyhenicos-1-en-7-yl]oxy-dimethylsilane
CID 11215040
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(4-methoxyphenyl)methoxy]hexanal
CID 101366005
ethyl 6-[tert-butyl(dimethyl)silyl]oxy-8-oxooct-2-ynoate
CID 71512418
3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]pentanal
CID 20725796
2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal
CID 58461604
(5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-7-phenylheptanal
CID 11419569
3-methoxy-6-methylheptanal
CID 87292037
3-[bis[2-[tert-butyl(dimethyl)silyl]oxydodecyl]amino]propane-1-thiol
CID 172557041

Frequently Asked Questions

What is the IUPAC name of (3S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-10-methylundecanal?
The IUPAC name of (3S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-10-methylundecanal (CID 101384249) is (3S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-10-methylundecanal.
What is the SMILES notation for (3S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-10-methylundecanal?
The canonical SMILES for (3S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-10-methylundecanal is CC(C)CCC[C@H](CC[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,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-10-methylundecanal?
The InChIKey is IPPWVGSOLRHUEC-YADHBBJMSA-N. The full InChI is InChI=1S/C24H52O3Si2/c1-20(2)14-13-15-21(26-28(9,10)23(3,4)5)16-17-22(18-19-25)27-29(11,12)24(6,7)8/h19-22H,13-18H2,1-12H3/t21-,22+/m1/s1.
What are the key properties of (3S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-10-methylundecanal?
(3S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-10-methylundecanal has a molecular weight of 444.85 g/mol, XLogP of 7.96, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-10-methylundecanal is sourced from PubChem (CID 101384249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).