3-but-3-enyl-2-(3-methoxyprop-1-ynyl)-4-methyl-4-trimethylsilyloxycyclobut-2-en-1-one

C16H24O3Si — CID 10613623

IUPAC3-but-3-enyl-2-(3-methoxyprop-1-ynyl)-4-methyl-4-trimethylsilyloxycyclobut-2-en-1-one
SMILESC=CCCC1=C(C#CCOC)C(=O)C1(C)O[Si](C)(C)C
InChIInChI=1S/C16H24O3Si/c1-7-8-11-14-13(10-9-12-18-3)15(17)16(14,2)19-20(4,5)6/h7H,1,8,11-12H2,2-6H3
InChIKeyWVPZBGHOSXKXAV-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.09
Rot. Bonds6

About 3-but-3-enyl-2-(3-methoxyprop-1-ynyl)-4-methyl-4-trimethylsilyloxycyclobut-2-en-1-one

3-but-3-enyl-2-(3-methoxyprop-1-ynyl)-4-methyl-4-trimethylsilyloxycyclobut-2-en-1-one (PubChem CID 10613623) has the molecular formula C16H24O3Si and a molecular weight of 292.45 g/mol. Its IUPAC name is 3-but-3-enyl-2-(3-methoxyprop-1-ynyl)-4-methyl-4-trimethylsilyloxycyclobut-2-en-1-one.

Molecular Properties

Compound Name3-but-3-enyl-2-(3-methoxyprop-1-ynyl)-4-methyl-4-trimethylsilyloxycyclobut-2-en-1-one
PubChem CID10613623
Molecular FormulaC16H24O3Si
Molecular Weight292.45 g/mol
Exact Mass292.15
IUPAC Name3-but-3-enyl-2-(3-methoxyprop-1-ynyl)-4-methyl-4-trimethylsilyloxycyclobut-2-en-1-one
SMILESC=CCCC1=C(C#CCOC)C(=O)C1(C)O[Si](C)(C)C
InChIInChI=1S/C16H24O3Si/c1-7-8-11-14-13(10-9-12-18-3)15(17)16(14,2)19-20(4,5)6/h7H,1,8,11-12H2,2-6H3
InChIKeyWVPZBGHOSXKXAV-UHFFFAOYSA-N
XLogP3.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

2-Hex-1-ynyl-3-methyl-4-prop-2-enyl-4-trimethylsilyloxycyclobut-2-en-1-one
CID 10613493
3-But-3-enyl-2-hex-1-ynyl-4-methyl-4-trimethylsilyloxycyclobut-2-en-1-one
CID 10662327
3-But-3-enyl-4-hydroxy-2-(3-methoxyprop-1-ynyl)-4-methylcyclobut-2-en-1-one
CID 10704158
3-But-3-enyl-4-methyl-2-(2-trimethylsilylethynyl)-4-trimethylsilyloxycyclobut-2-en-1-one
CID 10734506
3-But-3-enyl-4-hydroxy-4-methyl-2-(2-trimethylsilylethynyl)cyclobut-2-en-1-one
CID 10753101

Frequently Asked Questions

What is the IUPAC name of 3-but-3-enyl-2-(3-methoxyprop-1-ynyl)-4-methyl-4-trimethylsilyloxycyclobut-2-en-1-one?
The IUPAC name of 3-but-3-enyl-2-(3-methoxyprop-1-ynyl)-4-methyl-4-trimethylsilyloxycyclobut-2-en-1-one (CID 10613623) is 3-but-3-enyl-2-(3-methoxyprop-1-ynyl)-4-methyl-4-trimethylsilyloxycyclobut-2-en-1-one.
What is the SMILES notation for 3-but-3-enyl-2-(3-methoxyprop-1-ynyl)-4-methyl-4-trimethylsilyloxycyclobut-2-en-1-one?
The canonical SMILES for 3-but-3-enyl-2-(3-methoxyprop-1-ynyl)-4-methyl-4-trimethylsilyloxycyclobut-2-en-1-one is C=CCCC1=C(C#CCOC)C(=O)C1(C)O[Si](C)(C)C.
What is the InChIKey of 3-but-3-enyl-2-(3-methoxyprop-1-ynyl)-4-methyl-4-trimethylsilyloxycyclobut-2-en-1-one?
The InChIKey is WVPZBGHOSXKXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3Si/c1-7-8-11-14-13(10-9-12-18-3)15(17)16(14,2)19-20(4,5)6/h7H,1,8,11-12H2,2-6H3.
What are the key properties of 3-but-3-enyl-2-(3-methoxyprop-1-ynyl)-4-methyl-4-trimethylsilyloxycyclobut-2-en-1-one?
3-but-3-enyl-2-(3-methoxyprop-1-ynyl)-4-methyl-4-trimethylsilyloxycyclobut-2-en-1-one has a molecular weight of 292.45 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-enyl-2-(3-methoxyprop-1-ynyl)-4-methyl-4-trimethylsilyloxycyclobut-2-en-1-one is sourced from PubChem (CID 10613623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).