(E)-3-[diphenyl(propan-2-yloxy)silyl]-2-methylbut-2-enal

C20H24O2Si — CID 102221017

IUPAC(E)-3-[diphenyl(propan-2-yloxy)silyl]-2-methylbut-2-enal
SMILESC/C(C=O)=C(/C)[Si](OC(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24O2Si/c1-16(2)22-23(18(4)17(3)15-21,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-16H,1-4H3/b18-17+
InChIKeyPQYGPZCZKMKPFE-ISLYRVAYSA-N
MW324.50 g/mol
LogP3.25
Rot. Bonds6

About (E)-3-[diphenyl(propan-2-yloxy)silyl]-2-methylbut-2-enal

(E)-3-[diphenyl(propan-2-yloxy)silyl]-2-methylbut-2-enal (PubChem CID 102221017) has the molecular formula C20H24O2Si and a molecular weight of 324.50 g/mol. Its IUPAC name is (E)-3-[diphenyl(propan-2-yloxy)silyl]-2-methylbut-2-enal.

Molecular Properties

Compound Name(E)-3-[diphenyl(propan-2-yloxy)silyl]-2-methylbut-2-enal
PubChem CID102221017
Molecular FormulaC20H24O2Si
Molecular Weight324.50 g/mol
Exact Mass324.15
IUPAC Name(E)-3-[diphenyl(propan-2-yloxy)silyl]-2-methylbut-2-enal
SMILESC/C(C=O)=C(/C)[Si](OC(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24O2Si/c1-16(2)22-23(18(4)17(3)15-21,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-16H,1-4H3/b18-17+
InChIKeyPQYGPZCZKMKPFE-ISLYRVAYSA-N
XLogP3.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.50
LogP ≤ 53.25
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[diphenyl(propan-2-yloxy)silyl]-2-methylbut-2-enal?
The IUPAC name of (E)-3-[diphenyl(propan-2-yloxy)silyl]-2-methylbut-2-enal (CID 102221017) is (E)-3-[diphenyl(propan-2-yloxy)silyl]-2-methylbut-2-enal.
What is the SMILES notation for (E)-3-[diphenyl(propan-2-yloxy)silyl]-2-methylbut-2-enal?
The canonical SMILES for (E)-3-[diphenyl(propan-2-yloxy)silyl]-2-methylbut-2-enal is C/C(C=O)=C(/C)[Si](OC(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-3-[diphenyl(propan-2-yloxy)silyl]-2-methylbut-2-enal?
The InChIKey is PQYGPZCZKMKPFE-ISLYRVAYSA-N. The full InChI is InChI=1S/C20H24O2Si/c1-16(2)22-23(18(4)17(3)15-21,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-16H,1-4H3/b18-17+.
What are the key properties of (E)-3-[diphenyl(propan-2-yloxy)silyl]-2-methylbut-2-enal?
(E)-3-[diphenyl(propan-2-yloxy)silyl]-2-methylbut-2-enal has a molecular weight of 324.50 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[diphenyl(propan-2-yloxy)silyl]-2-methylbut-2-enal is sourced from PubChem (CID 102221017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).