(3S)-3-[tert-butyl(dimethyl)silyl]oxytetradecanal

C20H42O2Si — CID 11580953

IUPAC(3S)-3-[tert-butyl(dimethyl)silyl]oxytetradecanal
SMILESCCCCCCCCCCC[C@@H](CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H42O2Si/c1-7-8-9-10-11-12-13-14-15-16-19(17-18-21)22-23(5,6)20(2,3)4/h18-19H,7-17H2,1-6H3/t19-/m0/s1
InChIKeyPIQPQYDHYCTWIZ-IBGZPJMESA-N
MW342.64 g/mol
LogP6.89
Rot. Bonds14

About (3S)-3-[tert-butyl(dimethyl)silyl]oxytetradecanal

(3S)-3-[tert-butyl(dimethyl)silyl]oxytetradecanal (PubChem CID 11580953) has the molecular formula C20H42O2Si and a molecular weight of 342.64 g/mol. Its IUPAC name is (3S)-3-[tert-butyl(dimethyl)silyl]oxytetradecanal.

Molecular Properties

Compound Name(3S)-3-[tert-butyl(dimethyl)silyl]oxytetradecanal
PubChem CID11580953
Molecular FormulaC20H42O2Si
Molecular Weight342.64 g/mol
Exact Mass342.30
IUPAC Name(3S)-3-[tert-butyl(dimethyl)silyl]oxytetradecanal
SMILESCCCCCCCCCCC[C@@H](CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H42O2Si/c1-7-8-9-10-11-12-13-14-15-16-19(17-18-21)22-23(5,6)20(2,3)4/h18-19H,7-17H2,1-6H3/t19-/m0/s1
InChIKeyPIQPQYDHYCTWIZ-IBGZPJMESA-N
XLogP6.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.64
LogP ≤ 56.89
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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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[tert-butyl(dimethyl)silyl]oxytetradecanal?
The IUPAC name of (3S)-3-[tert-butyl(dimethyl)silyl]oxytetradecanal (CID 11580953) is (3S)-3-[tert-butyl(dimethyl)silyl]oxytetradecanal.
What is the SMILES notation for (3S)-3-[tert-butyl(dimethyl)silyl]oxytetradecanal?
The canonical SMILES for (3S)-3-[tert-butyl(dimethyl)silyl]oxytetradecanal is CCCCCCCCCCC[C@@H](CC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S)-3-[tert-butyl(dimethyl)silyl]oxytetradecanal?
The InChIKey is PIQPQYDHYCTWIZ-IBGZPJMESA-N. The full InChI is InChI=1S/C20H42O2Si/c1-7-8-9-10-11-12-13-14-15-16-19(17-18-21)22-23(5,6)20(2,3)4/h18-19H,7-17H2,1-6H3/t19-/m0/s1.
What are the key properties of (3S)-3-[tert-butyl(dimethyl)silyl]oxytetradecanal?
(3S)-3-[tert-butyl(dimethyl)silyl]oxytetradecanal has a molecular weight of 342.64 g/mol, XLogP of 6.89, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[tert-butyl(dimethyl)silyl]oxytetradecanal is sourced from PubChem (CID 11580953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).