(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloctanal

C15H32O2Si — CID 56591109

IUPAC(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloctanal
SMILESCCCCC[C@H](O[Si](C)(C)C(C)(C)C)C(C)C=O
InChIInChI=1S/C15H32O2Si/c1-8-9-10-11-14(13(2)12-16)17-18(6,7)15(3,4)5/h12-14H,8-11H2,1-7H3/t13?,14-/m0/s1
InChIKeyHCBUVKHSTJEPEK-KZUDCZAMSA-N
MW272.50 g/mol
LogP4.79
Rot. Bonds8

About (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloctanal

(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloctanal (PubChem CID 56591109) has the molecular formula C15H32O2Si and a molecular weight of 272.50 g/mol. Its IUPAC name is (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloctanal.

Molecular Properties

Compound Name(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloctanal
PubChem CID56591109
Molecular FormulaC15H32O2Si
Molecular Weight272.50 g/mol
Exact Mass272.22
IUPAC Name(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloctanal
SMILESCCCCC[C@H](O[Si](C)(C)C(C)(C)C)C(C)C=O
InChIInChI=1S/C15H32O2Si/c1-8-9-10-11-14(13(2)12-16)17-18(6,7)15(3,4)5/h12-14H,8-11H2,1-7H3/t13?,14-/m0/s1
InChIKeyHCBUVKHSTJEPEK-KZUDCZAMSA-N
XLogP4.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.50
LogP ≤ 54.79
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'}

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Related Compounds

rac-(1R,2S)-2-((tert-butyldimethylsilyl)oxy)cyclohexane-1-carbaldehyde
CID 11746817
rac-(1R,2R)-2-((tert-butyldimethylsilyl)oxy)cyclohexane-1-carbaldehyde
CID 137964539
(2S,3S)-3-(t-Butyldimethylsilyloxy)-2-methylhexanal
CID 10879364
(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
Ctk2A4066
CID 11403317
(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxoheptanal
CID 11437650
(4S,5S,6S)-4,6-dimethyl-5-triethylsilyloxyoctan-3-one
CID 11716179
(3S)-3-[tert-butyl(dimethyl)silyl]oxydecanal
CID 15308747
(3R)-3-[(Triethylsilyl)oxy]octanal
CID 15605975

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloctanal?
The IUPAC name of (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloctanal (CID 56591109) is (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloctanal.
What is the SMILES notation for (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloctanal?
The canonical SMILES for (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloctanal is CCCCC[C@H](O[Si](C)(C)C(C)(C)C)C(C)C=O.
What is the InChIKey of (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloctanal?
The InChIKey is HCBUVKHSTJEPEK-KZUDCZAMSA-N. The full InChI is InChI=1S/C15H32O2Si/c1-8-9-10-11-14(13(2)12-16)17-18(6,7)15(3,4)5/h12-14H,8-11H2,1-7H3/t13?,14-/m0/s1.
What are the key properties of (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloctanal?
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloctanal has a molecular weight of 272.50 g/mol, XLogP of 4.79, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloctanal is sourced from PubChem (CID 56591109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).