4-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one

C14H22O3Si — CID 14562980

IUPAC4-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one
SMILESCC1=C(OC(C)(C)C)C(O)(C#C[Si](C)(C)C)C1=O
InChIInChI=1S/C14H22O3Si/c1-10-11(15)14(16,8-9-18(5,6)7)12(10)17-13(2,3)4/h16H,1-7H3
InChIKeyRNUFBDHBCYRIQW-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.27
Rot. Bonds1

About 4-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one

4-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one (PubChem CID 14562980) has the molecular formula C14H22O3Si and a molecular weight of 266.41 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one.

Molecular Properties

Compound Name4-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one
PubChem CID14562980
Molecular FormulaC14H22O3Si
Molecular Weight266.41 g/mol
Exact Mass266.13
IUPAC Name4-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one
SMILESCC1=C(OC(C)(C)C)C(O)(C#C[Si](C)(C)C)C1=O
InChIInChI=1S/C14H22O3Si/c1-10-11(15)14(16,8-9-18(5,6)7)12(10)17-13(2,3)4/h16H,1-7H3
InChIKeyRNUFBDHBCYRIQW-UHFFFAOYSA-N
XLogP2.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-Cyclobuten-1-one, 2,3-diethoxy-4-hydroxy-4-[(trimethylsilyl)ethynyl]-
CID 11000066
4-(Hex-1-yn-1-yl)-4-hydroxy-3-methoxy-2-methylcyclobut-2-en-1-one
CID 14033471
2-Butyl-4-hydroxy-3-methoxy-4-(3-trimethylsilylprop-1-ynyl)cyclobut-2-en-1-one
CID 14689913
4-Ethynyl-4-hydroxy-2-methyl-3-propan-2-yloxycyclobut-2-en-1-one
CID 14813450
4-Ethynyl-4-hydroxy-3-methoxy-2-methylcyclobut-2-en-1-one
CID 14813456
4-Hex-1-ynyl-4-hydroxy-2-methyl-3-propan-2-yloxycyclobut-2-en-1-one
CID 14813457
4-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]-4-[(Z)-2-trimethylsilylethenyl]cyclobut-2-en-1-one
CID 134876326
4-Hydroxy-2,3-dimethoxy-4-(3-trimethylsilylprop-1-ynyl)cyclobut-2-en-1-one
CID 14689912
4-Hydroxy-3-methoxy-4-prop-2-enyl-2-(2-trimethylsilylethynyl)cyclobut-2-en-1-one
CID 15701463
4-Hydroxy-2,3-dimethoxy-4-(5-methyl-1-trimethylsilylhexa-3,4-dien-1-yn-3-yl)cyclobut-2-en-1-one
CID 10590797
4-Hydroxy-2-methyl-4-pent-1-ynyl-3-propan-2-yloxycyclobut-2-en-1-one
CID 101660942
(4R)-4-hydroxy-2,3-dimethoxy-4-(3-trimethylsilylprop-1-ynyl)cyclobut-2-en-1-one
CID 129404189

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one?
The IUPAC name of 4-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one (CID 14562980) is 4-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one.
What is the SMILES notation for 4-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one?
The canonical SMILES for 4-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one is CC1=C(OC(C)(C)C)C(O)(C#C[Si](C)(C)C)C1=O.
What is the InChIKey of 4-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one?
The InChIKey is RNUFBDHBCYRIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3Si/c1-10-11(15)14(16,8-9-18(5,6)7)12(10)17-13(2,3)4/h16H,1-7H3.
What are the key properties of 4-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one?
4-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one has a molecular weight of 266.41 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one is sourced from PubChem (CID 14562980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).