(8S)-8-[tert-butyl(dimethyl)silyl]oxyhexadecanal

C22H46O2Si — CID 86644252

IUPAC(8S)-8-[tert-butyl(dimethyl)silyl]oxyhexadecanal
SMILESCCCCCCCC[C@@H](CCCCCCC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H46O2Si/c1-7-8-9-10-12-15-18-21(19-16-13-11-14-17-20-23)24-25(5,6)22(2,3)4/h20-21H,7-19H2,1-6H3/t21-/m0/s1
InChIKeyJBZJWRNDPORILT-NRFANRHFSA-N
MW370.69 g/mol
LogP7.67
Rot. Bonds16

About (8S)-8-[tert-butyl(dimethyl)silyl]oxyhexadecanal

(8S)-8-[tert-butyl(dimethyl)silyl]oxyhexadecanal (PubChem CID 86644252) has the molecular formula C22H46O2Si and a molecular weight of 370.69 g/mol. Its IUPAC name is (8S)-8-[tert-butyl(dimethyl)silyl]oxyhexadecanal.

Molecular Properties

Compound Name(8S)-8-[tert-butyl(dimethyl)silyl]oxyhexadecanal
PubChem CID86644252
Molecular FormulaC22H46O2Si
Molecular Weight370.69 g/mol
Exact Mass370.33
IUPAC Name(8S)-8-[tert-butyl(dimethyl)silyl]oxyhexadecanal
SMILESCCCCCCCC[C@@H](CCCCCCC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H46O2Si/c1-7-8-9-10-12-15-18-21(19-16-13-11-14-17-20-23)24-25(5,6)22(2,3)4/h20-21H,7-19H2,1-6H3/t21-/m0/s1
InChIKeyJBZJWRNDPORILT-NRFANRHFSA-N
XLogP7.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.69
LogP ≤ 57.67
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 (8S)-8-[tert-butyl(dimethyl)silyl]oxyhexadecanal?
The IUPAC name of (8S)-8-[tert-butyl(dimethyl)silyl]oxyhexadecanal (CID 86644252) is (8S)-8-[tert-butyl(dimethyl)silyl]oxyhexadecanal.
What is the SMILES notation for (8S)-8-[tert-butyl(dimethyl)silyl]oxyhexadecanal?
The canonical SMILES for (8S)-8-[tert-butyl(dimethyl)silyl]oxyhexadecanal is CCCCCCCC[C@@H](CCCCCCC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (8S)-8-[tert-butyl(dimethyl)silyl]oxyhexadecanal?
The InChIKey is JBZJWRNDPORILT-NRFANRHFSA-N. The full InChI is InChI=1S/C22H46O2Si/c1-7-8-9-10-12-15-18-21(19-16-13-11-14-17-20-23)24-25(5,6)22(2,3)4/h20-21H,7-19H2,1-6H3/t21-/m0/s1.
What are the key properties of (8S)-8-[tert-butyl(dimethyl)silyl]oxyhexadecanal?
(8S)-8-[tert-butyl(dimethyl)silyl]oxyhexadecanal has a molecular weight of 370.69 g/mol, XLogP of 7.67, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-[tert-butyl(dimethyl)silyl]oxyhexadecanal is sourced from PubChem (CID 86644252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).