(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldecanal

C17H36O2Si — CID 138970752

IUPAC(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldecanal
SMILESCCCCC[C@H](CCC(C)C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36O2Si/c1-8-9-10-11-16(13-12-15(2)14-18)19-20(6,7)17(3,4)5/h14-16H,8-13H2,1-7H3/t15?,16-/m1/s1
InChIKeyKZUVXMWJNMRJMC-OEMAIJDKSA-N
MW300.56 g/mol
LogP5.57
Rot. Bonds10

About (2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldecanal

(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldecanal (PubChem CID 138970752) has the molecular formula C17H36O2Si and a molecular weight of 300.56 g/mol. Its IUPAC name is (2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldecanal.

Molecular Properties

Compound Name(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldecanal
PubChem CID138970752
Molecular FormulaC17H36O2Si
Molecular Weight300.56 g/mol
Exact Mass300.25
IUPAC Name(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldecanal
SMILESCCCCC[C@H](CCC(C)C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36O2Si/c1-8-9-10-11-16(13-12-15(2)14-18)19-20(6,7)17(3,4)5/h14-16H,8-13H2,1-7H3/t15?,16-/m1/s1
InChIKeyKZUVXMWJNMRJMC-OEMAIJDKSA-N
XLogP5.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.56
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldecanal 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

6-[Tert-butyl(dimethyl)silyl]oxy-10-oxoundecanal
CID 25111742
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloctanal
CID 56591109
(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-oxo-3-propan-2-ylheptanal
CID 57412962
(4R,5R)-5-[(tert-Butyldimethylsilyl)oxy]-4-methylheptanal
CID 129889198
(5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5,8-dimethylnonan-2-one
CID 132501472
(2S,3S,4S,5R)-2,4-dimethyl-3-trimethylsilyloxy-5-tri(propan-2-yl)silyloxyoctanal
CID 134930905
(2R,3S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-3-trimethylsilyloxyoctanal
CID 134930906
(2S,3S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-3-trimethylsilyloxyoctanal
CID 134931168
(2R,3S,4S,5R)-2,4-dimethyl-3-trimethylsilyloxy-5-tri(propan-2-yl)silyloxyoctanal
CID 134931618
2,6-Dimethyl-2-(3-methyl-3-trimethylsilyloxybutyl)heptanal
CID 135041121
(2R,3S,7S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-7-triethylsilyloxynonanal
CID 138981465
(2S,3S)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxyheptanal
CID 139263534

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldecanal?
The IUPAC name of (2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldecanal (CID 138970752) is (2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldecanal.
What is the SMILES notation for (2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldecanal?
The canonical SMILES for (2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldecanal is CCCCC[C@H](CCC(C)C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldecanal?
The InChIKey is KZUVXMWJNMRJMC-OEMAIJDKSA-N. The full InChI is InChI=1S/C17H36O2Si/c1-8-9-10-11-16(13-12-15(2)14-18)19-20(6,7)17(3,4)5/h14-16H,8-13H2,1-7H3/t15?,16-/m1/s1.
What are the key properties of (2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldecanal?
(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldecanal has a molecular weight of 300.56 g/mol, XLogP of 5.57, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldecanal is sourced from PubChem (CID 138970752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).