(E)-4-tri(propan-2-yl)silyloxybut-2-enal

C13H26O2Si — CID 11075638

IUPAC(E)-4-tri(propan-2-yl)silyloxybut-2-enal
SMILESCC(C)[Si](OC/C=C/C=O)(C(C)C)C(C)C
InChIInChI=1S/C13H26O2Si/c1-11(2)16(12(3)4,13(5)6)15-10-8-7-9-14/h7-9,11-13H,10H2,1-6H3/b8-7+
InChIKeyPYJBFWXOSFFCSE-BQYQJAHWSA-N
MW242.43 g/mol
LogP3.93
Rot. Bonds7

About (E)-4-tri(propan-2-yl)silyloxybut-2-enal

(E)-4-tri(propan-2-yl)silyloxybut-2-enal (PubChem CID 11075638) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is (E)-4-tri(propan-2-yl)silyloxybut-2-enal.

Molecular Properties

Compound Name(E)-4-tri(propan-2-yl)silyloxybut-2-enal
PubChem CID11075638
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name(E)-4-tri(propan-2-yl)silyloxybut-2-enal
SMILESCC(C)[Si](OC/C=C/C=O)(C(C)C)C(C)C
InChIInChI=1S/C13H26O2Si/c1-11(2)16(12(3)4,13(5)6)15-10-8-7-9-14/h7-9,11-13H,10H2,1-6H3/b8-7+
InChIKeyPYJBFWXOSFFCSE-BQYQJAHWSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.93
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)-4-tri(propan-2-yl)silyloxybut-2-enal?
The IUPAC name of (E)-4-tri(propan-2-yl)silyloxybut-2-enal (CID 11075638) is (E)-4-tri(propan-2-yl)silyloxybut-2-enal.
What is the SMILES notation for (E)-4-tri(propan-2-yl)silyloxybut-2-enal?
The canonical SMILES for (E)-4-tri(propan-2-yl)silyloxybut-2-enal is CC(C)[Si](OC/C=C/C=O)(C(C)C)C(C)C.
What is the InChIKey of (E)-4-tri(propan-2-yl)silyloxybut-2-enal?
The InChIKey is PYJBFWXOSFFCSE-BQYQJAHWSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-11(2)16(12(3)4,13(5)6)15-10-8-7-9-14/h7-9,11-13H,10H2,1-6H3/b8-7+.
What are the key properties of (E)-4-tri(propan-2-yl)silyloxybut-2-enal?
(E)-4-tri(propan-2-yl)silyloxybut-2-enal has a molecular weight of 242.43 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-tri(propan-2-yl)silyloxybut-2-enal is sourced from PubChem (CID 11075638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).