2-hex-1-ynyl-3-methyl-4-prop-2-enyl-4-trimethylsilyloxycyclobut-2-en-1-one

C17H26O2Si — CID 10613493

IUPAC2-hex-1-ynyl-3-methyl-4-prop-2-enyl-4-trimethylsilyloxycyclobut-2-en-1-one
SMILESC=CCC1(O[Si](C)(C)C)C(=O)C(C#CCCCC)=C1C
InChIInChI=1S/C17H26O2Si/c1-7-9-10-11-12-15-14(3)17(13-8-2,16(15)18)19-20(4,5)6/h8H,2,7,9-10,13H2,1,3-6H3
InChIKeyNPEHMXMMFHGLDN-UHFFFAOYSA-N
MW290.48 g/mol
LogP4.25
Rot. Bonds6

About 2-hex-1-ynyl-3-methyl-4-prop-2-enyl-4-trimethylsilyloxycyclobut-2-en-1-one

2-hex-1-ynyl-3-methyl-4-prop-2-enyl-4-trimethylsilyloxycyclobut-2-en-1-one (PubChem CID 10613493) has the molecular formula C17H26O2Si and a molecular weight of 290.48 g/mol. Its IUPAC name is 2-hex-1-ynyl-3-methyl-4-prop-2-enyl-4-trimethylsilyloxycyclobut-2-en-1-one.

Molecular Properties

Compound Name2-hex-1-ynyl-3-methyl-4-prop-2-enyl-4-trimethylsilyloxycyclobut-2-en-1-one
PubChem CID10613493
Molecular FormulaC17H26O2Si
Molecular Weight290.48 g/mol
Exact Mass290.17
IUPAC Name2-hex-1-ynyl-3-methyl-4-prop-2-enyl-4-trimethylsilyloxycyclobut-2-en-1-one
SMILESC=CCC1(O[Si](C)(C)C)C(=O)C(C#CCCCC)=C1C
InChIInChI=1S/C17H26O2Si/c1-7-9-10-11-12-15-14(3)17(13-8-2,16(15)18)19-20(4,5)6/h8H,2,7,9-10,13H2,1,3-6H3
InChIKeyNPEHMXMMFHGLDN-UHFFFAOYSA-N
XLogP4.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

4-[Tert-butyl(dimethyl)silyl]oxy-3-methyl-2-(2-methylprop-1-enyl)-4-prop-2-enylcyclobut-2-en-1-one
CID 10590801
3-But-3-enyl-2-(3-methoxyprop-1-ynyl)-4-methyl-4-trimethylsilyloxycyclobut-2-en-1-one
CID 10613623
4-[Tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methyl-4-(2-methylprop-2-enyl)cyclobut-2-en-1-one
CID 10637423
3-But-3-enyl-2-hex-1-ynyl-4-methyl-4-trimethylsilyloxycyclobut-2-en-1-one
CID 10662327
3-But-3-enyl-4-methyl-2-(2-trimethylsilylethynyl)-4-trimethylsilyloxycyclobut-2-en-1-one
CID 10734506
2-Ethenyl-3-methyl-4-(2-methylprop-2-enyl)-4-trimethylsilyloxycyclobut-2-en-1-one
CID 10753210
4-[Tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methyl-4-prop-2-enylcyclobut-2-en-1-one
CID 10850246

Frequently Asked Questions

What is the IUPAC name of 2-hex-1-ynyl-3-methyl-4-prop-2-enyl-4-trimethylsilyloxycyclobut-2-en-1-one?
The IUPAC name of 2-hex-1-ynyl-3-methyl-4-prop-2-enyl-4-trimethylsilyloxycyclobut-2-en-1-one (CID 10613493) is 2-hex-1-ynyl-3-methyl-4-prop-2-enyl-4-trimethylsilyloxycyclobut-2-en-1-one.
What is the SMILES notation for 2-hex-1-ynyl-3-methyl-4-prop-2-enyl-4-trimethylsilyloxycyclobut-2-en-1-one?
The canonical SMILES for 2-hex-1-ynyl-3-methyl-4-prop-2-enyl-4-trimethylsilyloxycyclobut-2-en-1-one is C=CCC1(O[Si](C)(C)C)C(=O)C(C#CCCCC)=C1C.
What is the InChIKey of 2-hex-1-ynyl-3-methyl-4-prop-2-enyl-4-trimethylsilyloxycyclobut-2-en-1-one?
The InChIKey is NPEHMXMMFHGLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2Si/c1-7-9-10-11-12-15-14(3)17(13-8-2,16(15)18)19-20(4,5)6/h8H,2,7,9-10,13H2,1,3-6H3.
What are the key properties of 2-hex-1-ynyl-3-methyl-4-prop-2-enyl-4-trimethylsilyloxycyclobut-2-en-1-one?
2-hex-1-ynyl-3-methyl-4-prop-2-enyl-4-trimethylsilyloxycyclobut-2-en-1-one has a molecular weight of 290.48 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hex-1-ynyl-3-methyl-4-prop-2-enyl-4-trimethylsilyloxycyclobut-2-en-1-one is sourced from PubChem (CID 10613493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).