2-trimethylsilylpent-4-enal

C8H16OSi — CID 88703334

IUPAC2-trimethylsilylpent-4-enal
SMILESC=CCC(C=O)[Si](C)(C)C
InChIInChI=1S/C8H16OSi/c1-5-6-8(7-9)10(2,3)4/h5,7-8H,1,6H2,2-4H3
InChIKeyJWFGSSRWNPMBPL-UHFFFAOYSA-N
MW156.30 g/mol
LogP2.47
Rot. Bonds4

About 2-trimethylsilylpent-4-enal

2-trimethylsilylpent-4-enal (PubChem CID 88703334) has the molecular formula C8H16OSi and a molecular weight of 156.30 g/mol. Its IUPAC name is 2-trimethylsilylpent-4-enal.

Molecular Properties

Compound Name2-trimethylsilylpent-4-enal
PubChem CID88703334
Molecular FormulaC8H16OSi
Molecular Weight156.30 g/mol
Exact Mass156.10
IUPAC Name2-trimethylsilylpent-4-enal
SMILESC=CCC(C=O)[Si](C)(C)C
InChIInChI=1S/C8H16OSi/c1-5-6-8(7-9)10(2,3)4/h5,7-8H,1,6H2,2-4H3
InChIKeyJWFGSSRWNPMBPL-UHFFFAOYSA-N
XLogP2.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.30
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-trimethylsilylpent-4-enal?
The IUPAC name of 2-trimethylsilylpent-4-enal (CID 88703334) is 2-trimethylsilylpent-4-enal.
What is the SMILES notation for 2-trimethylsilylpent-4-enal?
The canonical SMILES for 2-trimethylsilylpent-4-enal is C=CCC(C=O)[Si](C)(C)C.
What is the InChIKey of 2-trimethylsilylpent-4-enal?
The InChIKey is JWFGSSRWNPMBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OSi/c1-5-6-8(7-9)10(2,3)4/h5,7-8H,1,6H2,2-4H3.
What are the key properties of 2-trimethylsilylpent-4-enal?
2-trimethylsilylpent-4-enal has a molecular weight of 156.30 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylpent-4-enal is sourced from PubChem (CID 88703334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).