5-[tert-butyl(dimethyl)silyl]oxypent-2-enal

C11H22O2Si — CID 54030944

IUPAC5-[tert-butyl(dimethyl)silyl]oxypent-2-enal
SMILESCC(C)(C)[Si](C)(C)OCCC=CC=O
InChIInChI=1S/C11H22O2Si/c1-11(2,3)14(4,5)13-10-8-6-7-9-12/h6-7,9H,8,10H2,1-5H3
InChIKeyLFNYJQBWDJFWAM-UHFFFAOYSA-N
MW214.38 g/mol
LogP3.15
Rot. Bonds5

About 5-[tert-butyl(dimethyl)silyl]oxypent-2-enal

5-[tert-butyl(dimethyl)silyl]oxypent-2-enal (PubChem CID 54030944) has the molecular formula C11H22O2Si and a molecular weight of 214.38 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxypent-2-enal.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxypent-2-enal
PubChem CID54030944
Molecular FormulaC11H22O2Si
Molecular Weight214.38 g/mol
Exact Mass214.14
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxypent-2-enal
SMILESCC(C)(C)[Si](C)(C)OCCC=CC=O
InChIInChI=1S/C11H22O2Si/c1-11(2,3)14(4,5)13-10-8-6-7-9-12/h6-7,9H,8,10H2,1-5H3
InChIKeyLFNYJQBWDJFWAM-UHFFFAOYSA-N
XLogP3.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 53.15
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxypent-2-enal?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxypent-2-enal (CID 54030944) is 5-[tert-butyl(dimethyl)silyl]oxypent-2-enal.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxypent-2-enal?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxypent-2-enal is CC(C)(C)[Si](C)(C)OCCC=CC=O.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxypent-2-enal?
The InChIKey is LFNYJQBWDJFWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2Si/c1-11(2,3)14(4,5)13-10-8-6-7-9-12/h6-7,9H,8,10H2,1-5H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxypent-2-enal?
5-[tert-butyl(dimethyl)silyl]oxypent-2-enal has a molecular weight of 214.38 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxypent-2-enal is sourced from PubChem (CID 54030944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).