(3S)-7-[tert-butyl(dimethyl)silyl]oxy-3-methoxyheptanal

C14H30O3Si — CID 135040208

IUPAC(3S)-7-[tert-butyl(dimethyl)silyl]oxy-3-methoxyheptanal
SMILESCO[C@H](CC=O)CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O3Si/c1-14(2,3)18(5,6)17-12-8-7-9-13(16-4)10-11-15/h11,13H,7-10,12H2,1-6H3/t13-/m0/s1
InChIKeyBFAUZJVRUMGBIJ-ZDUSSCGKSA-N
MW274.48 g/mol
LogP3.78
Rot. Bonds9

About (3S)-7-[tert-butyl(dimethyl)silyl]oxy-3-methoxyheptanal

(3S)-7-[tert-butyl(dimethyl)silyl]oxy-3-methoxyheptanal (PubChem CID 135040208) has the molecular formula C14H30O3Si and a molecular weight of 274.48 g/mol. Its IUPAC name is (3S)-7-[tert-butyl(dimethyl)silyl]oxy-3-methoxyheptanal.

Molecular Properties

Compound Name(3S)-7-[tert-butyl(dimethyl)silyl]oxy-3-methoxyheptanal
PubChem CID135040208
Molecular FormulaC14H30O3Si
Molecular Weight274.48 g/mol
Exact Mass274.20
IUPAC Name(3S)-7-[tert-butyl(dimethyl)silyl]oxy-3-methoxyheptanal
SMILESCO[C@H](CC=O)CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O3Si/c1-14(2,3)18(5,6)17-12-8-7-9-13(16-4)10-11-15/h11,13H,7-10,12H2,1-6H3/t13-/m0/s1
InChIKeyBFAUZJVRUMGBIJ-ZDUSSCGKSA-N
XLogP3.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.48
LogP ≤ 53.78
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'}

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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
(3S)-3-[tert-butyl(dimethyl)silyl]oxydecanal
CID 15308747
(3R)-3-[(Triethylsilyl)oxy]octanal
CID 15605975
(2S,3R)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]oxirane-2-carbaldehyde
CID 25107992
(3S,7R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]octanal
CID 25257955
(7S)-7-[tert-butyl(dimethyl)silyl]oxyoctanal
CID 56837874
(3S)-3-trimethylsilyloxynonanal
CID 134878697
(2R)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]oxirane-2-carbaldehyde
CID 134896270
(3R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]heptanal
CID 138980516

Frequently Asked Questions

What is the IUPAC name of (3S)-7-[tert-butyl(dimethyl)silyl]oxy-3-methoxyheptanal?
The IUPAC name of (3S)-7-[tert-butyl(dimethyl)silyl]oxy-3-methoxyheptanal (CID 135040208) is (3S)-7-[tert-butyl(dimethyl)silyl]oxy-3-methoxyheptanal.
What is the SMILES notation for (3S)-7-[tert-butyl(dimethyl)silyl]oxy-3-methoxyheptanal?
The canonical SMILES for (3S)-7-[tert-butyl(dimethyl)silyl]oxy-3-methoxyheptanal is CO[C@H](CC=O)CCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S)-7-[tert-butyl(dimethyl)silyl]oxy-3-methoxyheptanal?
The InChIKey is BFAUZJVRUMGBIJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H30O3Si/c1-14(2,3)18(5,6)17-12-8-7-9-13(16-4)10-11-15/h11,13H,7-10,12H2,1-6H3/t13-/m0/s1.
What are the key properties of (3S)-7-[tert-butyl(dimethyl)silyl]oxy-3-methoxyheptanal?
(3S)-7-[tert-butyl(dimethyl)silyl]oxy-3-methoxyheptanal has a molecular weight of 274.48 g/mol, XLogP of 3.78, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-7-[tert-butyl(dimethyl)silyl]oxy-3-methoxyheptanal is sourced from PubChem (CID 135040208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).