4-tri(propan-2-yl)silylbut-3-yn-1-ol

C13H26OSi — CID 10609315

IUPAC4-tri(propan-2-yl)silylbut-3-yn-1-ol
SMILESCC(C)[Si](C#CCCO)(C(C)C)C(C)C
InChIInChI=1S/C13H26OSi/c1-11(2)15(12(3)4,13(5)6)10-8-7-9-14/h11-14H,7,9H2,1-6H3
InChIKeyPSCCSKFYKVCZRS-UHFFFAOYSA-N
MW226.44 g/mol
LogP3.59
Rot. Bonds4

About 4-tri(propan-2-yl)silylbut-3-yn-1-ol

4-tri(propan-2-yl)silylbut-3-yn-1-ol (PubChem CID 10609315) has the molecular formula C13H26OSi and a molecular weight of 226.44 g/mol. Its IUPAC name is 4-tri(propan-2-yl)silylbut-3-yn-1-ol.

Molecular Properties

Compound Name4-tri(propan-2-yl)silylbut-3-yn-1-ol
PubChem CID10609315
Molecular FormulaC13H26OSi
Molecular Weight226.44 g/mol
Exact Mass226.18
IUPAC Name4-tri(propan-2-yl)silylbut-3-yn-1-ol
SMILESCC(C)[Si](C#CCCO)(C(C)C)C(C)C
InChIInChI=1S/C13H26OSi/c1-11(2)15(12(3)4,13(5)6)10-8-7-9-14/h11-14H,7,9H2,1-6H3
InChIKeyPSCCSKFYKVCZRS-UHFFFAOYSA-N
XLogP3.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.44
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-tri(propan-2-yl)silylbut-3-yn-1-ol?
The IUPAC name of 4-tri(propan-2-yl)silylbut-3-yn-1-ol (CID 10609315) is 4-tri(propan-2-yl)silylbut-3-yn-1-ol.
What is the SMILES notation for 4-tri(propan-2-yl)silylbut-3-yn-1-ol?
The canonical SMILES for 4-tri(propan-2-yl)silylbut-3-yn-1-ol is CC(C)[Si](C#CCCO)(C(C)C)C(C)C.
What is the InChIKey of 4-tri(propan-2-yl)silylbut-3-yn-1-ol?
The InChIKey is PSCCSKFYKVCZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26OSi/c1-11(2)15(12(3)4,13(5)6)10-8-7-9-14/h11-14H,7,9H2,1-6H3.
What are the key properties of 4-tri(propan-2-yl)silylbut-3-yn-1-ol?
4-tri(propan-2-yl)silylbut-3-yn-1-ol has a molecular weight of 226.44 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tri(propan-2-yl)silylbut-3-yn-1-ol is sourced from PubChem (CID 10609315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).