3,3-dimethylbut-1-ynyl-tri(propan-2-yl)silane

C15H30Si — CID 140906962

IUPAC3,3-dimethylbut-1-ynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#CC(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H30Si/c1-12(2)16(13(3)4,14(5)6)11-10-15(7,8)9/h12-14H,1-9H3
InChIKeyXQRFRKACJNTLHT-UHFFFAOYSA-N
MW238.49 g/mol
LogP5.25
Rot. Bonds3

About 3,3-dimethylbut-1-ynyl-tri(propan-2-yl)silane

3,3-dimethylbut-1-ynyl-tri(propan-2-yl)silane (PubChem CID 140906962) has the molecular formula C15H30Si and a molecular weight of 238.49 g/mol. Its IUPAC name is 3,3-dimethylbut-1-ynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name3,3-dimethylbut-1-ynyl-tri(propan-2-yl)silane
PubChem CID140906962
Molecular FormulaC15H30Si
Molecular Weight238.49 g/mol
Exact Mass238.21
IUPAC Name3,3-dimethylbut-1-ynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#CC(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H30Si/c1-12(2)16(13(3)4,14(5)6)11-10-15(7,8)9/h12-14H,1-9H3
InChIKeyXQRFRKACJNTLHT-UHFFFAOYSA-N
XLogP5.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.49
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 3,3-dimethylbut-1-ynyl-tri(propan-2-yl)silane?
The IUPAC name of 3,3-dimethylbut-1-ynyl-tri(propan-2-yl)silane (CID 140906962) is 3,3-dimethylbut-1-ynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 3,3-dimethylbut-1-ynyl-tri(propan-2-yl)silane?
The canonical SMILES for 3,3-dimethylbut-1-ynyl-tri(propan-2-yl)silane is CC(C)[Si](C#CC(C)(C)C)(C(C)C)C(C)C.
What is the InChIKey of 3,3-dimethylbut-1-ynyl-tri(propan-2-yl)silane?
The InChIKey is XQRFRKACJNTLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30Si/c1-12(2)16(13(3)4,14(5)6)11-10-15(7,8)9/h12-14H,1-9H3.
What are the key properties of 3,3-dimethylbut-1-ynyl-tri(propan-2-yl)silane?
3,3-dimethylbut-1-ynyl-tri(propan-2-yl)silane has a molecular weight of 238.49 g/mol, XLogP of 5.25, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylbut-1-ynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 140906962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).