(E)-5-tri(propan-2-yl)silylpent-2-en-4-ynal

C14H24OSi — CID 11345394

IUPAC(E)-5-tri(propan-2-yl)silylpent-2-en-4-ynal
SMILESCC(C)[Si](C#C/C=C/C=O)(C(C)C)C(C)C
InChIInChI=1S/C14H24OSi/c1-12(2)16(13(3)4,14(5)6)11-9-7-8-10-15/h7-8,10,12-14H,1-6H3/b8-7+
InChIKeyAJKXWGALVUWTIB-BQYQJAHWSA-N
MW236.43 g/mol
LogP3.96
Rot. Bonds4

About (E)-5-tri(propan-2-yl)silylpent-2-en-4-ynal

(E)-5-tri(propan-2-yl)silylpent-2-en-4-ynal (PubChem CID 11345394) has the molecular formula C14H24OSi and a molecular weight of 236.43 g/mol. Its IUPAC name is (E)-5-tri(propan-2-yl)silylpent-2-en-4-ynal.

Molecular Properties

Compound Name(E)-5-tri(propan-2-yl)silylpent-2-en-4-ynal
PubChem CID11345394
Molecular FormulaC14H24OSi
Molecular Weight236.43 g/mol
Exact Mass236.16
IUPAC Name(E)-5-tri(propan-2-yl)silylpent-2-en-4-ynal
SMILESCC(C)[Si](C#C/C=C/C=O)(C(C)C)C(C)C
InChIInChI=1S/C14H24OSi/c1-12(2)16(13(3)4,14(5)6)11-9-7-8-10-15/h7-8,10,12-14H,1-6H3/b8-7+
InChIKeyAJKXWGALVUWTIB-BQYQJAHWSA-N
XLogP3.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.43
LogP ≤ 53.96
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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-5-tri(propan-2-yl)silylpent-2-en-4-ynal?
The IUPAC name of (E)-5-tri(propan-2-yl)silylpent-2-en-4-ynal (CID 11345394) is (E)-5-tri(propan-2-yl)silylpent-2-en-4-ynal.
What is the SMILES notation for (E)-5-tri(propan-2-yl)silylpent-2-en-4-ynal?
The canonical SMILES for (E)-5-tri(propan-2-yl)silylpent-2-en-4-ynal is CC(C)[Si](C#C/C=C/C=O)(C(C)C)C(C)C.
What is the InChIKey of (E)-5-tri(propan-2-yl)silylpent-2-en-4-ynal?
The InChIKey is AJKXWGALVUWTIB-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H24OSi/c1-12(2)16(13(3)4,14(5)6)11-9-7-8-10-15/h7-8,10,12-14H,1-6H3/b8-7+.
What are the key properties of (E)-5-tri(propan-2-yl)silylpent-2-en-4-ynal?
(E)-5-tri(propan-2-yl)silylpent-2-en-4-ynal has a molecular weight of 236.43 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-tri(propan-2-yl)silylpent-2-en-4-ynal is sourced from PubChem (CID 11345394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).