2-methylidene-4-tri(propan-2-yl)silylbut-3-ynal

C14H24OSi — CID 11736517

IUPAC2-methylidene-4-tri(propan-2-yl)silylbut-3-ynal
SMILESC=C(C#C[Si](C(C)C)(C(C)C)C(C)C)C=O
InChIInChI=1S/C14H24OSi/c1-11(2)16(12(3)4,13(5)6)9-8-14(7)10-15/h10-13H,7H2,1-6H3
InChIKeyPOOHOJKPCGQCGQ-UHFFFAOYSA-N
MW236.43 g/mol
LogP3.96
Rot. Bonds4

About 2-methylidene-4-tri(propan-2-yl)silylbut-3-ynal

2-methylidene-4-tri(propan-2-yl)silylbut-3-ynal (PubChem CID 11736517) has the molecular formula C14H24OSi and a molecular weight of 236.43 g/mol. Its IUPAC name is 2-methylidene-4-tri(propan-2-yl)silylbut-3-ynal.

Molecular Properties

Compound Name2-methylidene-4-tri(propan-2-yl)silylbut-3-ynal
PubChem CID11736517
Molecular FormulaC14H24OSi
Molecular Weight236.43 g/mol
Exact Mass236.16
IUPAC Name2-methylidene-4-tri(propan-2-yl)silylbut-3-ynal
SMILESC=C(C#C[Si](C(C)C)(C(C)C)C(C)C)C=O
InChIInChI=1S/C14H24OSi/c1-11(2)16(12(3)4,13(5)6)9-8-14(7)10-15/h10-13H,7H2,1-6H3
InChIKeyPOOHOJKPCGQCGQ-UHFFFAOYSA-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 2-methylidene-4-tri(propan-2-yl)silylbut-3-ynal?
The IUPAC name of 2-methylidene-4-tri(propan-2-yl)silylbut-3-ynal (CID 11736517) is 2-methylidene-4-tri(propan-2-yl)silylbut-3-ynal.
What is the SMILES notation for 2-methylidene-4-tri(propan-2-yl)silylbut-3-ynal?
The canonical SMILES for 2-methylidene-4-tri(propan-2-yl)silylbut-3-ynal is C=C(C#C[Si](C(C)C)(C(C)C)C(C)C)C=O.
What is the InChIKey of 2-methylidene-4-tri(propan-2-yl)silylbut-3-ynal?
The InChIKey is POOHOJKPCGQCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24OSi/c1-11(2)16(12(3)4,13(5)6)9-8-14(7)10-15/h10-13H,7H2,1-6H3.
What are the key properties of 2-methylidene-4-tri(propan-2-yl)silylbut-3-ynal?
2-methylidene-4-tri(propan-2-yl)silylbut-3-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 2-methylidene-4-tri(propan-2-yl)silylbut-3-ynal is sourced from PubChem (CID 11736517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).