1-(triisopropylsilyl)-5-(triMethylsilyl)-1,4-dipentayne-3-one

C17H30OSi2 — CID 14937074

IUPAC1-trimethylsilyl-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
InChIInChI=1S/C17H30OSi2/c1-14(2)20(15(3)4,16(5)6)13-11-17(18)10-12-19(7,8)9/h14-16H,1-9H3
InChIKeyCRNHLUMUKFBKHP-UHFFFAOYSA-N
MW306.60 g/mol
LogP—
Rot. Bonds5

About 1-(triisopropylsilyl)-5-(triMethylsilyl)-1,4-dipentayne-3-one

1-(triisopropylsilyl)-5-(triMethylsilyl)-1,4-dipentayne-3-one (PubChem CID 14937074) has the molecular formula C17H30OSi2 and a molecular weight of 306.60 g/mol. Its IUPAC name is 1-trimethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-one.

Molecular Properties

Compound Name1-(triisopropylsilyl)-5-(triMethylsilyl)-1,4-dipentayne-3-one
PubChem CID14937074
Molecular FormulaC17H30OSi2
Molecular Weight306.60 g/mol
Exact Mass306.18
IUPAC Name1-trimethylsilyl-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
InChIInChI=1S/C17H30OSi2/c1-14(2)20(15(3)4,16(5)6)13-11-17(18)10-12-19(7,8)9/h14-16H,1-9H3
InChIKeyCRNHLUMUKFBKHP-UHFFFAOYSA-N
XLogP—
TPSA17.10 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity459

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.60
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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Frequently Asked Questions

What is the IUPAC name of 1-(triisopropylsilyl)-5-(triMethylsilyl)-1,4-dipentayne-3-one?
The IUPAC name of 1-(triisopropylsilyl)-5-(triMethylsilyl)-1,4-dipentayne-3-one (CID 14937074) is 1-trimethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-one.
What is the SMILES notation for 1-(triisopropylsilyl)-5-(triMethylsilyl)-1,4-dipentayne-3-one?
The canonical SMILES for 1-(triisopropylsilyl)-5-(triMethylsilyl)-1,4-dipentayne-3-one is CC(C)[Si](C#CC(=O)C#C[Si](C)(C)C)(C(C)C)C(C)C.
What is the InChIKey of 1-(triisopropylsilyl)-5-(triMethylsilyl)-1,4-dipentayne-3-one?
The InChIKey is CRNHLUMUKFBKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30OSi2/c1-14(2)20(15(3)4,16(5)6)13-11-17(18)10-12-19(7,8)9/h14-16H,1-9H3.
What are the key properties of 1-(triisopropylsilyl)-5-(triMethylsilyl)-1,4-dipentayne-3-one?
1-(triisopropylsilyl)-5-(triMethylsilyl)-1,4-dipentayne-3-one has a molecular weight of 306.60 g/mol, XLogP of not available, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(triisopropylsilyl)-5-(triMethylsilyl)-1,4-dipentayne-3-one is sourced from PubChem (CID 14937074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).