1,5-bis[tri(propan-2-yl)silyl]penta-1,4-diyn-3-one

C23H42OSi2 — CID 10475528

IUPAC1,5-bis[tri(propan-2-yl)silyl]penta-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)C(C)C
InChIInChI=1S/C23H42OSi2/c1-17(2)25(18(3)4,19(5)6)15-13-23(24)14-16-26(20(7)8,21(9)10)22(11)12/h17-22H,1-12H3
InChIKeyINQDVAXBZKSIHY-UHFFFAOYSA-N
MW390.76 g/mol
LogP7.00
Rot. Bonds6

About 1,5-bis[tri(propan-2-yl)silyl]penta-1,4-diyn-3-one

1,5-bis[tri(propan-2-yl)silyl]penta-1,4-diyn-3-one (PubChem CID 10475528) has the molecular formula C23H42OSi2 and a molecular weight of 390.76 g/mol. Its IUPAC name is 1,5-bis[tri(propan-2-yl)silyl]penta-1,4-diyn-3-one.

Molecular Properties

Compound Name1,5-bis[tri(propan-2-yl)silyl]penta-1,4-diyn-3-one
PubChem CID10475528
Molecular FormulaC23H42OSi2
Molecular Weight390.76 g/mol
Exact Mass390.28
IUPAC Name1,5-bis[tri(propan-2-yl)silyl]penta-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)C(C)C
InChIInChI=1S/C23H42OSi2/c1-17(2)25(18(3)4,19(5)6)15-13-23(24)14-16-26(20(7)8,21(9)10)22(11)12/h17-22H,1-12H3
InChIKeyINQDVAXBZKSIHY-UHFFFAOYSA-N
XLogP7.00
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.76
LogP ≤ 57.00
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-(triisopropylsilyl)-5-(triMethylsilyl)-1,4-dipentayne-3-one
CID 14937074
4-(Triisopropylsilyl)but-3-yn-2-one
CID 11708389
6-Trimethylsilylhexa-3,5-diyn-2-one
CID 11275194
3-Butyn-2-one, 4-(triethylsilyl)-
CID 11469464
8-Triethylsilyl-1-trimethylsilylocta-5,7-diyn-2-one
CID 134997995
4,4-Bis(triethylsilyl)butan-2-one
CID 135021306
1-[Tert-butyl(dimethyl)silyl]-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-one
CID 135077354
1-(Triisopropylsilyl)pent-1-yn-3-one
CID 135086221
1-Triethylsilyl-5-trimethylsilylpenta-1,4-diyn-3-one
CID 14937073

Frequently Asked Questions

What is the IUPAC name of 1,5-bis[tri(propan-2-yl)silyl]penta-1,4-diyn-3-one?
The IUPAC name of 1,5-bis[tri(propan-2-yl)silyl]penta-1,4-diyn-3-one (CID 10475528) is 1,5-bis[tri(propan-2-yl)silyl]penta-1,4-diyn-3-one.
What is the SMILES notation for 1,5-bis[tri(propan-2-yl)silyl]penta-1,4-diyn-3-one?
The canonical SMILES for 1,5-bis[tri(propan-2-yl)silyl]penta-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)C(C)C.
What is the InChIKey of 1,5-bis[tri(propan-2-yl)silyl]penta-1,4-diyn-3-one?
The InChIKey is INQDVAXBZKSIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42OSi2/c1-17(2)25(18(3)4,19(5)6)15-13-23(24)14-16-26(20(7)8,21(9)10)22(11)12/h17-22H,1-12H3.
What are the key properties of 1,5-bis[tri(propan-2-yl)silyl]penta-1,4-diyn-3-one?
1,5-bis[tri(propan-2-yl)silyl]penta-1,4-diyn-3-one has a molecular weight of 390.76 g/mol, XLogP of 7.00, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis[tri(propan-2-yl)silyl]penta-1,4-diyn-3-one is sourced from PubChem (CID 10475528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).