4-bromo-3-[tert-butyl(dimethyl)silyl]oxypent-4-enal

C11H21BrO2Si — CID 11277794

IUPAC4-bromo-3-[tert-butyl(dimethyl)silyl]oxypent-4-enal
SMILESC=C(Br)C(CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H21BrO2Si/c1-9(12)10(7-8-13)14-15(5,6)11(2,3)4/h8,10H,1,7H2,2-6H3
InChIKeyCCQUVWLNRINWBW-UHFFFAOYSA-N
MW293.28 g/mol
LogP3.87
Rot. Bonds5

About 4-bromo-3-[tert-butyl(dimethyl)silyl]oxypent-4-enal

4-bromo-3-[tert-butyl(dimethyl)silyl]oxypent-4-enal (PubChem CID 11277794) has the molecular formula C11H21BrO2Si and a molecular weight of 293.28 g/mol. Its IUPAC name is 4-bromo-3-[tert-butyl(dimethyl)silyl]oxypent-4-enal.

Molecular Properties

Compound Name4-bromo-3-[tert-butyl(dimethyl)silyl]oxypent-4-enal
PubChem CID11277794
Molecular FormulaC11H21BrO2Si
Molecular Weight293.28 g/mol
Exact Mass292.05
IUPAC Name4-bromo-3-[tert-butyl(dimethyl)silyl]oxypent-4-enal
SMILESC=C(Br)C(CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H21BrO2Si/c1-9(12)10(7-8-13)14-15(5,6)11(2,3)4/h8,10H,1,7H2,2-6H3
InChIKeyCCQUVWLNRINWBW-UHFFFAOYSA-N
XLogP3.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 53.87
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 4-bromo-3-[tert-butyl(dimethyl)silyl]oxypent-4-enal?
The IUPAC name of 4-bromo-3-[tert-butyl(dimethyl)silyl]oxypent-4-enal (CID 11277794) is 4-bromo-3-[tert-butyl(dimethyl)silyl]oxypent-4-enal.
What is the SMILES notation for 4-bromo-3-[tert-butyl(dimethyl)silyl]oxypent-4-enal?
The canonical SMILES for 4-bromo-3-[tert-butyl(dimethyl)silyl]oxypent-4-enal is C=C(Br)C(CC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-bromo-3-[tert-butyl(dimethyl)silyl]oxypent-4-enal?
The InChIKey is CCQUVWLNRINWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrO2Si/c1-9(12)10(7-8-13)14-15(5,6)11(2,3)4/h8,10H,1,7H2,2-6H3.
What are the key properties of 4-bromo-3-[tert-butyl(dimethyl)silyl]oxypent-4-enal?
4-bromo-3-[tert-butyl(dimethyl)silyl]oxypent-4-enal has a molecular weight of 293.28 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-[tert-butyl(dimethyl)silyl]oxypent-4-enal is sourced from PubChem (CID 11277794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).