(2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal

C14H28O2Si2 — CID 58373563

IUPAC(2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal
SMILESCC(C)(C)[Si](C)(C)O[C@@H](C=O)CC#C[Si](C)(C)C
InChIInChI=1S/C14H28O2Si2/c1-14(2,3)18(7,8)16-13(12-15)10-9-11-17(4,5)6/h12-13H,10H2,1-8H3/t13-/m1/s1
InChIKeyLYKGPRIUUSPHNN-CYBMUJFWSA-N
MW284.55 g/mol
LogP3.85
Rot. Bonds4

About (2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal

(2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal (PubChem CID 58373563) has the molecular formula C14H28O2Si2 and a molecular weight of 284.55 g/mol. Its IUPAC name is (2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal.

Molecular Properties

Compound Name(2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal
PubChem CID58373563
Molecular FormulaC14H28O2Si2
Molecular Weight284.55 g/mol
Exact Mass284.16
IUPAC Name(2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal
SMILESCC(C)(C)[Si](C)(C)O[C@@H](C=O)CC#C[Si](C)(C)C
InChIInChI=1S/C14H28O2Si2/c1-14(2,3)18(7,8)16-13(12-15)10-9-11-17(4,5)6/h12-13H,10H2,1-8H3/t13-/m1/s1
InChIKeyLYKGPRIUUSPHNN-CYBMUJFWSA-N
XLogP3.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.55
LogP ≤ 53.85
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': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal?
The IUPAC name of (2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal (CID 58373563) is (2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal.
What is the SMILES notation for (2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal?
The canonical SMILES for (2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal is CC(C)(C)[Si](C)(C)O[C@@H](C=O)CC#C[Si](C)(C)C.
What is the InChIKey of (2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal?
The InChIKey is LYKGPRIUUSPHNN-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H28O2Si2/c1-14(2,3)18(7,8)16-13(12-15)10-9-11-17(4,5)6/h12-13H,10H2,1-8H3/t13-/m1/s1.
What are the key properties of (2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal?
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal has a molecular weight of 284.55 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal is sourced from PubChem (CID 58373563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).