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

C14H28OSi — CID 53253536

IUPAC2-methyl-4-tri(propan-2-yl)silylbut-3-yn-2-ol
SMILESCC(C)[Si](C#CC(C)(C)O)(C(C)C)C(C)C
InChIInChI=1S/C14H28OSi/c1-11(2)16(12(3)4,13(5)6)10-9-14(7,8)15/h11-13,15H,1-8H3
InChIKeyRRUIXLNZDPZVRD-UHFFFAOYSA-N
MW240.46 g/mol
LogP3.98
Rot. Bonds3

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

2-methyl-4-tri(propan-2-yl)silylbut-3-yn-2-ol (PubChem CID 53253536) has the molecular formula C14H28OSi and a molecular weight of 240.46 g/mol. Its IUPAC name is 2-methyl-4-tri(propan-2-yl)silylbut-3-yn-2-ol.

Molecular Properties

Compound Name2-methyl-4-tri(propan-2-yl)silylbut-3-yn-2-ol
PubChem CID53253536
Molecular FormulaC14H28OSi
Molecular Weight240.46 g/mol
Exact Mass240.19
IUPAC Name2-methyl-4-tri(propan-2-yl)silylbut-3-yn-2-ol
SMILESCC(C)[Si](C#CC(C)(C)O)(C(C)C)C(C)C
InChIInChI=1S/C14H28OSi/c1-11(2)16(12(3)4,13(5)6)10-9-14(7,8)15/h11-13,15H,1-8H3
InChIKeyRRUIXLNZDPZVRD-UHFFFAOYSA-N
XLogP3.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.46
LogP ≤ 53.98
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 2-methyl-4-tri(propan-2-yl)silylbut-3-yn-2-ol?
The IUPAC name of 2-methyl-4-tri(propan-2-yl)silylbut-3-yn-2-ol (CID 53253536) is 2-methyl-4-tri(propan-2-yl)silylbut-3-yn-2-ol.
What is the SMILES notation for 2-methyl-4-tri(propan-2-yl)silylbut-3-yn-2-ol?
The canonical SMILES for 2-methyl-4-tri(propan-2-yl)silylbut-3-yn-2-ol is CC(C)[Si](C#CC(C)(C)O)(C(C)C)C(C)C.
What is the InChIKey of 2-methyl-4-tri(propan-2-yl)silylbut-3-yn-2-ol?
The InChIKey is RRUIXLNZDPZVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28OSi/c1-11(2)16(12(3)4,13(5)6)10-9-14(7,8)15/h11-13,15H,1-8H3.
What are the key properties of 2-methyl-4-tri(propan-2-yl)silylbut-3-yn-2-ol?
2-methyl-4-tri(propan-2-yl)silylbut-3-yn-2-ol has a molecular weight of 240.46 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-tri(propan-2-yl)silylbut-3-yn-2-ol is sourced from PubChem (CID 53253536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).