(2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylpent-4-enal

C13H26O2Si — CID 10890088

IUPAC(2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylpent-4-enal
SMILESC=C(C)[C@@H](C)[C@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O2Si/c1-10(2)11(3)12(9-14)15-16(7,8)13(4,5)6/h9,11-12H,1H2,2-8H3/t11-,12+/m1/s1
InChIKeyCAUKIXZJAIIPMX-NEPJUHHUSA-N
MW242.43 g/mol
LogP3.79
Rot. Bonds5

About (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylpent-4-enal

(2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylpent-4-enal (PubChem CID 10890088) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylpent-4-enal.

Molecular Properties

Compound Name(2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylpent-4-enal
PubChem CID10890088
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name(2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylpent-4-enal
SMILESC=C(C)[C@@H](C)[C@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O2Si/c1-10(2)11(3)12(9-14)15-16(7,8)13(4,5)6/h9,11-12H,1H2,2-8H3/t11-,12+/m1/s1
InChIKeyCAUKIXZJAIIPMX-NEPJUHHUSA-N
XLogP3.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.79
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylpent-4-enal?
The IUPAC name of (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylpent-4-enal (CID 10890088) is (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylpent-4-enal.
What is the SMILES notation for (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylpent-4-enal?
The canonical SMILES for (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylpent-4-enal is C=C(C)[C@@H](C)[C@H](C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylpent-4-enal?
The InChIKey is CAUKIXZJAIIPMX-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-10(2)11(3)12(9-14)15-16(7,8)13(4,5)6/h9,11-12H,1H2,2-8H3/t11-,12+/m1/s1.
What are the key properties of (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylpent-4-enal?
(2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylpent-4-enal has a molecular weight of 242.43 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylpent-4-enal is sourced from PubChem (CID 10890088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).