(2S)-2-triethylsilylhexanal

C12H26OSi — CID 15443078

IUPAC(2S)-2-triethylsilylhexanal
SMILESCCCC[C@@H](C=O)[Si](CC)(CC)CC
InChIInChI=1S/C12H26OSi/c1-5-9-10-12(11-13)14(6-2,7-3)8-4/h11-12H,5-10H2,1-4H3/t12-/m0/s1
InChIKeyPARJURFOOAKILA-LBPRGKRZSA-N
MW214.43 g/mol
LogP4.25
Rot. Bonds8

About (2S)-2-triethylsilylhexanal

(2S)-2-triethylsilylhexanal (PubChem CID 15443078) has the molecular formula C12H26OSi and a molecular weight of 214.43 g/mol. Its IUPAC name is (2S)-2-triethylsilylhexanal.

Molecular Properties

Compound Name(2S)-2-triethylsilylhexanal
PubChem CID15443078
Molecular FormulaC12H26OSi
Molecular Weight214.43 g/mol
Exact Mass214.18
IUPAC Name(2S)-2-triethylsilylhexanal
SMILESCCCC[C@@H](C=O)[Si](CC)(CC)CC
InChIInChI=1S/C12H26OSi/c1-5-9-10-12(11-13)14(6-2,7-3)8-4/h11-12H,5-10H2,1-4H3/t12-/m0/s1
InChIKeyPARJURFOOAKILA-LBPRGKRZSA-N
XLogP4.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.43
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-[ethyl(dimethoxy)silyl]heptanal
CID 87594625
2-[diethoxy(ethyl)silyl]decanal
CID 87595226
2-triethoxysilyldodecanal
CID 162716787
2-ethylhexanal;tantalum
CID 87424385
2-ethylhexanal;methane
CID 139299505
magnesium;hydride;2-methylhexanal
CID 175489752
2-ethylhexanal;phosphane
CID 174518467
2-(sulfanylmethyl)hexanal
CID 527437
2-(diaminomethyl)hexanal
CID 174437838
4-butyloctanal;titanium
CID 175088006
cyclohexane;2-methylhexane;2-methylpropanal
CID 160719053
(2S,3R)-2-fluoro-3-methylheptanal
CID 130628488

Frequently Asked Questions

What is the IUPAC name of (2S)-2-triethylsilylhexanal?
The IUPAC name of (2S)-2-triethylsilylhexanal (CID 15443078) is (2S)-2-triethylsilylhexanal.
What is the SMILES notation for (2S)-2-triethylsilylhexanal?
The canonical SMILES for (2S)-2-triethylsilylhexanal is CCCC[C@@H](C=O)[Si](CC)(CC)CC.
What is the InChIKey of (2S)-2-triethylsilylhexanal?
The InChIKey is PARJURFOOAKILA-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H26OSi/c1-5-9-10-12(11-13)14(6-2,7-3)8-4/h11-12H,5-10H2,1-4H3/t12-/m0/s1.
What are the key properties of (2S)-2-triethylsilylhexanal?
(2S)-2-triethylsilylhexanal has a molecular weight of 214.43 g/mol, XLogP of 4.25, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-triethylsilylhexanal is sourced from PubChem (CID 15443078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).