(2R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentanal

C22H30O2Si — CID 10043735

IUPAC(2R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentanal
SMILESC[C@@H](C=O)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H30O2Si/c1-19(18-23)12-11-17-24-25(22(2,3)4,20-13-7-5-8-14-20)21-15-9-6-10-16-21/h5-10,13-16,18-19H,11-12,17H2,1-4H3/t19-/m1/s1
InChIKeyBBBMTZTZZSKZCF-LJQANCHMSA-N
MW354.57 g/mol
LogP4.18
Rot. Bonds8

About (2R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentanal

(2R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentanal (PubChem CID 10043735) has the molecular formula C22H30O2Si and a molecular weight of 354.57 g/mol. Its IUPAC name is (2R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentanal.

Molecular Properties

Compound Name(2R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentanal
PubChem CID10043735
Molecular FormulaC22H30O2Si
Molecular Weight354.57 g/mol
Exact Mass354.20
IUPAC Name(2R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentanal
SMILESC[C@@H](C=O)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H30O2Si/c1-19(18-23)12-11-17-24-25(22(2,3)4,20-13-7-5-8-14-20)21-15-9-6-10-16-21/h5-10,13-16,18-19H,11-12,17H2,1-4H3/t19-/m1/s1
InChIKeyBBBMTZTZZSKZCF-LJQANCHMSA-N
XLogP4.18
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 ≤ 54.18
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 (2R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentanal?
The IUPAC name of (2R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentanal (CID 10043735) is (2R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentanal.
What is the SMILES notation for (2R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentanal?
The canonical SMILES for (2R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentanal is C[C@@H](C=O)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentanal?
The InChIKey is BBBMTZTZZSKZCF-LJQANCHMSA-N. The full InChI is InChI=1S/C22H30O2Si/c1-19(18-23)12-11-17-24-25(22(2,3)4,20-13-7-5-8-14-20)21-15-9-6-10-16-21/h5-10,13-16,18-19H,11-12,17H2,1-4H3/t19-/m1/s1.
What are the key properties of (2R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentanal?
(2R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentanal has a molecular weight of 354.57 g/mol, XLogP of 4.18, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentanal is sourced from PubChem (CID 10043735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).