4-hexa-1,5-diynyl-2,3-dimethoxy-4-trimethylsilyloxycyclobut-2-en-1-one

C15H20O4Si — CID 134876296

IUPAC4-hexa-1,5-diynyl-2,3-dimethoxy-4-trimethylsilyloxycyclobut-2-en-1-one
SMILESC#CCCC#CC1(O[Si](C)(C)C)C(=O)C(OC)=C1OC
InChIInChI=1S/C15H20O4Si/c1-7-8-9-10-11-15(19-20(4,5)6)13(16)12(17-2)14(15)18-3/h1H,8-9H2,2-6H3
InChIKeyBAMSSYSBHXDIJF-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.08
Rot. Bonds5

About 4-hexa-1,5-diynyl-2,3-dimethoxy-4-trimethylsilyloxycyclobut-2-en-1-one

4-hexa-1,5-diynyl-2,3-dimethoxy-4-trimethylsilyloxycyclobut-2-en-1-one (PubChem CID 134876296) has the molecular formula C15H20O4Si and a molecular weight of 292.41 g/mol. Its IUPAC name is 4-hexa-1,5-diynyl-2,3-dimethoxy-4-trimethylsilyloxycyclobut-2-en-1-one.

Molecular Properties

Compound Name4-hexa-1,5-diynyl-2,3-dimethoxy-4-trimethylsilyloxycyclobut-2-en-1-one
PubChem CID134876296
Molecular FormulaC15H20O4Si
Molecular Weight292.41 g/mol
Exact Mass292.11
IUPAC Name4-hexa-1,5-diynyl-2,3-dimethoxy-4-trimethylsilyloxycyclobut-2-en-1-one
SMILESC#CCCC#CC1(O[Si](C)(C)C)C(=O)C(OC)=C1OC
InChIInChI=1S/C15H20O4Si/c1-7-8-9-10-11-15(19-20(4,5)6)13(16)12(17-2)14(15)18-3/h1H,8-9H2,2-6H3
InChIKeyBAMSSYSBHXDIJF-UHFFFAOYSA-N
XLogP2.08
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Cyclobuten-1-one, 2,3-diethoxy-4-hydroxy-4-[(trimethylsilyl)ethynyl]-
CID 11000066
4-Ethynyl-2,3-dimethoxy-4-trimethylsilyloxycyclobut-2-en-1-one
CID 85574253
4-Hydroxy-2,3-dimethoxy-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one
CID 85574271
2,3-Dimethoxy-4-(2-trimethylsilylethynyl)-4-trimethylsilyloxycyclobut-2-en-1-one
CID 134876569
4-Hex-1-ynyl-2,3-dimethoxy-4-trimethylsilyloxycyclobut-2-en-1-one
CID 13460295
2,3-Dimethoxy-4-trimethylsilyloxy-4-(3-trimethylsilyloxyprop-1-ynyl)cyclobut-2-en-1-one
CID 13460297
4-[Tert-butyl(dimethyl)silyl]oxy-4-methyl-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one
CID 14140288
4-(Hexa-1,5-diyn-1-yl)-2,3,4-trimethoxycyclobut-2-en-1-one
CID 15004553
4-Ethenyl-2,3-di(propan-2-yloxy)-4-trimethylsilyloxycyclobut-2-en-1-one
CID 134887180
4-Hydroxy-2,3-dimethoxy-4-(3-trimethylsilylprop-1-ynyl)cyclobut-2-en-1-one
CID 14689912
3,4-Diisopropoxy-2-trimethylsilyloxy-2-methylcyclobut-3-ene-1-one
CID 14715012
2,3-Dimethoxy-4-trimethylsilyloxy-4-(3-trimethylsilylprop-1-ynyl)cyclobut-2-en-1-one
CID 12179767

Frequently Asked Questions

What is the IUPAC name of 4-hexa-1,5-diynyl-2,3-dimethoxy-4-trimethylsilyloxycyclobut-2-en-1-one?
The IUPAC name of 4-hexa-1,5-diynyl-2,3-dimethoxy-4-trimethylsilyloxycyclobut-2-en-1-one (CID 134876296) is 4-hexa-1,5-diynyl-2,3-dimethoxy-4-trimethylsilyloxycyclobut-2-en-1-one.
What is the SMILES notation for 4-hexa-1,5-diynyl-2,3-dimethoxy-4-trimethylsilyloxycyclobut-2-en-1-one?
The canonical SMILES for 4-hexa-1,5-diynyl-2,3-dimethoxy-4-trimethylsilyloxycyclobut-2-en-1-one is C#CCCC#CC1(O[Si](C)(C)C)C(=O)C(OC)=C1OC.
What is the InChIKey of 4-hexa-1,5-diynyl-2,3-dimethoxy-4-trimethylsilyloxycyclobut-2-en-1-one?
The InChIKey is BAMSSYSBHXDIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4Si/c1-7-8-9-10-11-15(19-20(4,5)6)13(16)12(17-2)14(15)18-3/h1H,8-9H2,2-6H3.
What are the key properties of 4-hexa-1,5-diynyl-2,3-dimethoxy-4-trimethylsilyloxycyclobut-2-en-1-one?
4-hexa-1,5-diynyl-2,3-dimethoxy-4-trimethylsilyloxycyclobut-2-en-1-one has a molecular weight of 292.41 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexa-1,5-diynyl-2,3-dimethoxy-4-trimethylsilyloxycyclobut-2-en-1-one is sourced from PubChem (CID 134876296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).