1-[tert-butyl(dimethyl)silyl]-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-one

C20H36OSi2 — CID 135077354

IUPAC1-[tert-butyl(dimethyl)silyl]-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-one
SMILESCC(C)[Si](C#CC(=O)C#C[Si](C)(C)C(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H36OSi2/c1-16(2)23(17(3)4,18(5)6)15-13-19(21)12-14-22(10,11)20(7,8)9/h16-18H,1-11H3
InChIKeyGQZFEBZZPKYPDV-UHFFFAOYSA-N
MW348.68 g/mol
LogP5.83
Rot. Bonds3

About 1-[tert-butyl(dimethyl)silyl]-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-one

1-[tert-butyl(dimethyl)silyl]-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-one (PubChem CID 135077354) has the molecular formula C20H36OSi2 and a molecular weight of 348.68 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-one.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-one
PubChem CID135077354
Molecular FormulaC20H36OSi2
Molecular Weight348.68 g/mol
Exact Mass348.23
IUPAC Name1-[tert-butyl(dimethyl)silyl]-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-one
SMILESCC(C)[Si](C#CC(=O)C#C[Si](C)(C)C(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H36OSi2/c1-16(2)23(17(3)4,18(5)6)15-13-19(21)12-14-22(10,11)20(7,8)9/h16-18H,1-11H3
InChIKeyGQZFEBZZPKYPDV-UHFFFAOYSA-N
XLogP5.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.68
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_yne_A(1)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1,5-Bis(trimethylsilyl)penta-1,4-diyn-3-one
CID 10857069
1,5-Hexadiyne-3,4-dione, 1,6-bis[tris(1-methylethyl)silyl]-
CID 11015282
4-[(1,1-Dimethylethyl)dimethylsilyl]-3-butyn-2-one
CID 21609410
1,5-Bis[tri(propan-2-yl)silyl]penta-1,4-diyn-3-one
CID 10475528
3-Butyn-2-one, 4-(triethylsilyl)-
CID 11469464
1-(triisopropylsilyl)-5-(triMethylsilyl)-1,4-dipentayne-3-one
CID 14937074
4-(Triisopropylsilyl)but-3-yn-2-one
CID 11708389
1-Triethylsilyl-5-trimethylsilylpenta-1,4-diyn-3-one
CID 14937073
1,7-Bis(trimethylsilyl)hepta-2,5-diyn-4-one
CID 20470623
1,5-Bis[ethyl(dimethyl)silyl]penta-1,4-diyn-3-one
CID 87982054
6,6-Dimethyl-1-trimethylsilylhepta-1,4-diyn-3-one
CID 140863657
1-[Tert-butyl(dimethyl)silyl]-1-[[tert-butyl(dimethyl)silyl]-dimethylsilyl]propan-2-one
CID 141363023

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-one?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-one (CID 135077354) is 1-[tert-butyl(dimethyl)silyl]-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-one.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-one?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-one is CC(C)[Si](C#CC(=O)C#C[Si](C)(C)C(C)(C)C)(C(C)C)C(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-one?
The InChIKey is GQZFEBZZPKYPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36OSi2/c1-16(2)23(17(3)4,18(5)6)15-13-19(21)12-14-22(10,11)20(7,8)9/h16-18H,1-11H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-one?
1-[tert-butyl(dimethyl)silyl]-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-one has a molecular weight of 348.68 g/mol, XLogP of 5.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-one is sourced from PubChem (CID 135077354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).