buta-1,3-diynyl-tri(propan-2-yl)silane

C13H22Si — CID 11790402

IUPACbuta-1,3-diynyl-tri(propan-2-yl)silane
SMILESC#CC#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C13H22Si/c1-8-9-10-14(11(2)3,12(4)5)13(6)7/h1,11-13H,2-7H3
InChIKeySIGAPEXUCZMKIX-UHFFFAOYSA-N
MW206.40 g/mol
LogP3.84
Rot. Bonds3

About buta-1,3-diynyl-tri(propan-2-yl)silane

buta-1,3-diynyl-tri(propan-2-yl)silane (PubChem CID 11790402) has the molecular formula C13H22Si and a molecular weight of 206.40 g/mol. Its IUPAC name is buta-1,3-diynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Namebuta-1,3-diynyl-tri(propan-2-yl)silane
PubChem CID11790402
Molecular FormulaC13H22Si
Molecular Weight206.40 g/mol
Exact Mass206.15
IUPAC Namebuta-1,3-diynyl-tri(propan-2-yl)silane
SMILESC#CC#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C13H22Si/c1-8-9-10-14(11(2)3,12(4)5)13(6)7/h1,11-13H,2-7H3
InChIKeySIGAPEXUCZMKIX-UHFFFAOYSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.40
LogP ≤ 53.84
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 buta-1,3-diynyl-tri(propan-2-yl)silane?
The IUPAC name of buta-1,3-diynyl-tri(propan-2-yl)silane (CID 11790402) is buta-1,3-diynyl-tri(propan-2-yl)silane.
What is the SMILES notation for buta-1,3-diynyl-tri(propan-2-yl)silane?
The canonical SMILES for buta-1,3-diynyl-tri(propan-2-yl)silane is C#CC#C[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of buta-1,3-diynyl-tri(propan-2-yl)silane?
The InChIKey is SIGAPEXUCZMKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22Si/c1-8-9-10-14(11(2)3,12(4)5)13(6)7/h1,11-13H,2-7H3.
What are the key properties of buta-1,3-diynyl-tri(propan-2-yl)silane?
buta-1,3-diynyl-tri(propan-2-yl)silane has a molecular weight of 206.40 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,3-diynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 11790402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).