(E)-4-[dimethyl(prop-2-enyl)silyl]but-2-enal

C9H16OSi — CID 101431476

IUPAC(E)-4-[dimethyl(prop-2-enyl)silyl]but-2-enal
SMILESC=CC[Si](C)(C)C/C=C/C=O
InChIInChI=1S/C9H16OSi/c1-4-8-11(2,3)9-6-5-7-10/h4-7H,1,8-9H2,2-3H3/b6-5+
InChIKeyRJNSDFIDKGKIMB-AATRIKPKSA-N
MW168.31 g/mol
LogP2.64
Rot. Bonds5

About (E)-4-[dimethyl(prop-2-enyl)silyl]but-2-enal

(E)-4-[dimethyl(prop-2-enyl)silyl]but-2-enal (PubChem CID 101431476) has the molecular formula C9H16OSi and a molecular weight of 168.31 g/mol. Its IUPAC name is (E)-4-[dimethyl(prop-2-enyl)silyl]but-2-enal.

Molecular Properties

Compound Name(E)-4-[dimethyl(prop-2-enyl)silyl]but-2-enal
PubChem CID101431476
Molecular FormulaC9H16OSi
Molecular Weight168.31 g/mol
Exact Mass168.10
IUPAC Name(E)-4-[dimethyl(prop-2-enyl)silyl]but-2-enal
SMILESC=CC[Si](C)(C)C/C=C/C=O
InChIInChI=1S/C9H16OSi/c1-4-8-11(2,3)9-6-5-7-10/h4-7H,1,8-9H2,2-3H3/b6-5+
InChIKeyRJNSDFIDKGKIMB-AATRIKPKSA-N
XLogP2.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.31
LogP ≤ 52.64
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-[dimethyl(prop-2-enyl)silyl]but-2-enal?
The IUPAC name of (E)-4-[dimethyl(prop-2-enyl)silyl]but-2-enal (CID 101431476) is (E)-4-[dimethyl(prop-2-enyl)silyl]but-2-enal.
What is the SMILES notation for (E)-4-[dimethyl(prop-2-enyl)silyl]but-2-enal?
The canonical SMILES for (E)-4-[dimethyl(prop-2-enyl)silyl]but-2-enal is C=CC[Si](C)(C)C/C=C/C=O.
What is the InChIKey of (E)-4-[dimethyl(prop-2-enyl)silyl]but-2-enal?
The InChIKey is RJNSDFIDKGKIMB-AATRIKPKSA-N. The full InChI is InChI=1S/C9H16OSi/c1-4-8-11(2,3)9-6-5-7-10/h4-7H,1,8-9H2,2-3H3/b6-5+.
What are the key properties of (E)-4-[dimethyl(prop-2-enyl)silyl]but-2-enal?
(E)-4-[dimethyl(prop-2-enyl)silyl]but-2-enal has a molecular weight of 168.31 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[dimethyl(prop-2-enyl)silyl]but-2-enal is sourced from PubChem (CID 101431476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).