(3S)-3-trimethylsilyloxynonanal

C12H26O2Si — CID 134878697

IUPAC(3S)-3-trimethylsilyloxynonanal
SMILESCCCCCC[C@@H](CC=O)O[Si](C)(C)C
InChIInChI=1S/C12H26O2Si/c1-5-6-7-8-9-12(10-11-13)14-15(2,3)4/h11-12H,5-10H2,1-4H3/t12-/m0/s1
InChIKeyOMPNKAHCRJLBRP-LBPRGKRZSA-N
MW230.42 g/mol
LogP3.77
Rot. Bonds9

About (3S)-3-trimethylsilyloxynonanal

(3S)-3-trimethylsilyloxynonanal (PubChem CID 134878697) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is (3S)-3-trimethylsilyloxynonanal.

Molecular Properties

Compound Name(3S)-3-trimethylsilyloxynonanal
PubChem CID134878697
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Name(3S)-3-trimethylsilyloxynonanal
SMILESCCCCCC[C@@H](CC=O)O[Si](C)(C)C
InChIInChI=1S/C12H26O2Si/c1-5-6-7-8-9-12(10-11-13)14-15(2,3)4/h11-12H,5-10H2,1-4H3/t12-/m0/s1
InChIKeyOMPNKAHCRJLBRP-LBPRGKRZSA-N
XLogP3.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 53.77
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

(R)-3-(t-butyl-dimethylsiloxy)tetradecanal
CID 10893271
Octanal, 8-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 11108030
(3S)-3-[tert-butyl(dimethyl)silyl]oxyoctanal
CID 11345944
(3S)-3-(((1,1-Dimethylethyl)dimethylsilyl)oxy)tetradecanal
CID 11580953
3-Methoxynonanal
CID 21420710
(3R)-3-[tert-butyl(dimethyl)silyl]oxydecanal
CID 10803167
5-Methyl-3-trimethylsilyloxy-pentanal
CID 14992604
(3S)-3-[tert-butyl(dimethyl)silyl]oxydecanal
CID 15308747
(3R)-3-[(Triethylsilyl)oxy]octanal
CID 15605975
(3S,7R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]octanal
CID 25257955
(7S)-7-[tert-butyl(dimethyl)silyl]oxyoctanal
CID 56837874
(4R)-4-trimethylsilyloxyoctan-2-one
CID 135036825

Frequently Asked Questions

What is the IUPAC name of (3S)-3-trimethylsilyloxynonanal?
The IUPAC name of (3S)-3-trimethylsilyloxynonanal (CID 134878697) is (3S)-3-trimethylsilyloxynonanal.
What is the SMILES notation for (3S)-3-trimethylsilyloxynonanal?
The canonical SMILES for (3S)-3-trimethylsilyloxynonanal is CCCCCC[C@@H](CC=O)O[Si](C)(C)C.
What is the InChIKey of (3S)-3-trimethylsilyloxynonanal?
The InChIKey is OMPNKAHCRJLBRP-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-5-6-7-8-9-12(10-11-13)14-15(2,3)4/h11-12H,5-10H2,1-4H3/t12-/m0/s1.
What are the key properties of (3S)-3-trimethylsilyloxynonanal?
(3S)-3-trimethylsilyloxynonanal has a molecular weight of 230.42 g/mol, XLogP of 3.77, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-trimethylsilyloxynonanal is sourced from PubChem (CID 134878697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).