(3S)-3-[tert-butyl(diphenyl)silyl]oxyhexanal

C22H30O2Si — CID 11428197

IUPAC(3S)-3-[tert-butyl(diphenyl)silyl]oxyhexanal
SMILESCCC[C@@H](CC=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H30O2Si/c1-5-12-19(17-18-23)24-25(22(2,3)4,20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-11,13-16,18-19H,5,12,17H2,1-4H3/t19-/m0/s1
InChIKeyVZWIIVNMJMVCBM-IBGZPJMESA-N
MW354.57 g/mol
LogP4.32
Rot. Bonds8

About (3S)-3-[tert-butyl(diphenyl)silyl]oxyhexanal

(3S)-3-[tert-butyl(diphenyl)silyl]oxyhexanal (PubChem CID 11428197) has the molecular formula C22H30O2Si and a molecular weight of 354.57 g/mol. Its IUPAC name is (3S)-3-[tert-butyl(diphenyl)silyl]oxyhexanal.

Molecular Properties

Compound Name(3S)-3-[tert-butyl(diphenyl)silyl]oxyhexanal
PubChem CID11428197
Molecular FormulaC22H30O2Si
Molecular Weight354.57 g/mol
Exact Mass354.20
IUPAC Name(3S)-3-[tert-butyl(diphenyl)silyl]oxyhexanal
SMILESCCC[C@@H](CC=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H30O2Si/c1-5-12-19(17-18-23)24-25(22(2,3)4,20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-11,13-16,18-19H,5,12,17H2,1-4H3/t19-/m0/s1
InChIKeyVZWIIVNMJMVCBM-IBGZPJMESA-N
XLogP4.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.57
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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(diphenyl)silyl]oxyhexanal?
The IUPAC name of (3S)-3-[tert-butyl(diphenyl)silyl]oxyhexanal (CID 11428197) is (3S)-3-[tert-butyl(diphenyl)silyl]oxyhexanal.
What is the SMILES notation for (3S)-3-[tert-butyl(diphenyl)silyl]oxyhexanal?
The canonical SMILES for (3S)-3-[tert-butyl(diphenyl)silyl]oxyhexanal is CCC[C@@H](CC=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (3S)-3-[tert-butyl(diphenyl)silyl]oxyhexanal?
The InChIKey is VZWIIVNMJMVCBM-IBGZPJMESA-N. The full InChI is InChI=1S/C22H30O2Si/c1-5-12-19(17-18-23)24-25(22(2,3)4,20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-11,13-16,18-19H,5,12,17H2,1-4H3/t19-/m0/s1.
What are the key properties of (3S)-3-[tert-butyl(diphenyl)silyl]oxyhexanal?
(3S)-3-[tert-butyl(diphenyl)silyl]oxyhexanal has a molecular weight of 354.57 g/mol, XLogP of 4.32, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[tert-butyl(diphenyl)silyl]oxyhexanal is sourced from PubChem (CID 11428197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).