8-triethylsilyl-1-trimethylsilylocta-5,7-diyn-2-one

C17H30OSi2 — CID 134997995

IUPAC8-triethylsilyl-1-trimethylsilylocta-5,7-diyn-2-one
SMILESCC[Si](C#CC#CCCC(=O)C[Si](C)(C)C)(CC)CC
InChIInChI=1S/C17H30OSi2/c1-7-20(8-2,9-3)15-13-11-10-12-14-17(18)16-19(4,5)6/h7-9,12,14,16H2,1-6H3
InChIKeyNIKNWGCPGJWBDU-UHFFFAOYSA-N
MW306.60 g/mol
LogP4.73
Rot. Bonds7

About 8-triethylsilyl-1-trimethylsilylocta-5,7-diyn-2-one

8-triethylsilyl-1-trimethylsilylocta-5,7-diyn-2-one (PubChem CID 134997995) has the molecular formula C17H30OSi2 and a molecular weight of 306.60 g/mol. Its IUPAC name is 8-triethylsilyl-1-trimethylsilylocta-5,7-diyn-2-one.

Molecular Properties

Compound Name8-triethylsilyl-1-trimethylsilylocta-5,7-diyn-2-one
PubChem CID134997995
Molecular FormulaC17H30OSi2
Molecular Weight306.60 g/mol
Exact Mass306.18
IUPAC Name8-triethylsilyl-1-trimethylsilylocta-5,7-diyn-2-one
SMILESCC[Si](C#CC#CCCC(=O)C[Si](C)(C)C)(CC)CC
InChIInChI=1S/C17H30OSi2/c1-7-20(8-2,9-3)15-13-11-10-12-14-17(18)16-19(4,5)6/h7-9,12,14,16H2,1-6H3
InChIKeyNIKNWGCPGJWBDU-UHFFFAOYSA-N
XLogP4.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.60
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(Trimethylsilyl)hex-1-yn-3-one
CID 337061
1,5-Hexadiyne-3,4-dione, 1,6-bis[tris(1-methylethyl)silyl]-
CID 11015282
6-(Trimethylsilyl)hex-5-yn-2-one
CID 11182860
1,5-Bis[tri(propan-2-yl)silyl]penta-1,4-diyn-3-one
CID 10475528
1-(triisopropylsilyl)-5-(triMethylsilyl)-1,4-dipentayne-3-one
CID 14937074
1,8-Bis(trimethylsilyl)octa-1,7-diyn-3-one
CID 101514006
1-Heptyn-3-one, 1-(trimethylsilyl)-
CID 11019511
7-Trimethylsilylhept-6-yn-3-one
CID 11401156
1,7-Bis(trimethylsilyl)hepta-1,6-diyn-3-one
CID 14976474
4,6-Bis(trimethylsilyl)hex-5-yn-2-one
CID 85895689
1,6-Bis(trimethylsilyl)hex-5-yn-1-one
CID 101375060
(4S)-4-methyl-6-tri(propan-2-yl)silylhex-5-yn-2-one
CID 101836454

Frequently Asked Questions

What is the IUPAC name of 8-triethylsilyl-1-trimethylsilylocta-5,7-diyn-2-one?
The IUPAC name of 8-triethylsilyl-1-trimethylsilylocta-5,7-diyn-2-one (CID 134997995) is 8-triethylsilyl-1-trimethylsilylocta-5,7-diyn-2-one.
What is the SMILES notation for 8-triethylsilyl-1-trimethylsilylocta-5,7-diyn-2-one?
The canonical SMILES for 8-triethylsilyl-1-trimethylsilylocta-5,7-diyn-2-one is CC[Si](C#CC#CCCC(=O)C[Si](C)(C)C)(CC)CC.
What is the InChIKey of 8-triethylsilyl-1-trimethylsilylocta-5,7-diyn-2-one?
The InChIKey is NIKNWGCPGJWBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30OSi2/c1-7-20(8-2,9-3)15-13-11-10-12-14-17(18)16-19(4,5)6/h7-9,12,14,16H2,1-6H3.
What are the key properties of 8-triethylsilyl-1-trimethylsilylocta-5,7-diyn-2-one?
8-triethylsilyl-1-trimethylsilylocta-5,7-diyn-2-one has a molecular weight of 306.60 g/mol, XLogP of 4.73, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-triethylsilyl-1-trimethylsilylocta-5,7-diyn-2-one is sourced from PubChem (CID 134997995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).