3-methoxy-2-propan-2-yl-4-prop-1-en-2-yl-4-trimethylsilyloxycyclobut-2-en-1-one

C14H24O3Si — CID 10539881

IUPAC3-methoxy-2-propan-2-yl-4-prop-1-en-2-yl-4-trimethylsilyloxycyclobut-2-en-1-one
SMILESC=C(C)C1(O[Si](C)(C)C)C(=O)C(C(C)C)=C1OC
InChIInChI=1S/C14H24O3Si/c1-9(2)11-12(15)14(10(3)4,13(11)16-5)17-18(6,7)8/h9H,3H2,1-2,4-8H3
InChIKeyAVGMWIYUWWWPMY-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.29
Rot. Bonds5

About 3-methoxy-2-propan-2-yl-4-prop-1-en-2-yl-4-trimethylsilyloxycyclobut-2-en-1-one

3-methoxy-2-propan-2-yl-4-prop-1-en-2-yl-4-trimethylsilyloxycyclobut-2-en-1-one (PubChem CID 10539881) has the molecular formula C14H24O3Si and a molecular weight of 268.43 g/mol. Its IUPAC name is 3-methoxy-2-propan-2-yl-4-prop-1-en-2-yl-4-trimethylsilyloxycyclobut-2-en-1-one.

Molecular Properties

Compound Name3-methoxy-2-propan-2-yl-4-prop-1-en-2-yl-4-trimethylsilyloxycyclobut-2-en-1-one
PubChem CID10539881
Molecular FormulaC14H24O3Si
Molecular Weight268.43 g/mol
Exact Mass268.15
IUPAC Name3-methoxy-2-propan-2-yl-4-prop-1-en-2-yl-4-trimethylsilyloxycyclobut-2-en-1-one
SMILESC=C(C)C1(O[Si](C)(C)C)C(=O)C(C(C)C)=C1OC
InChIInChI=1S/C14H24O3Si/c1-9(2)11-12(15)14(10(3)4,13(11)16-5)17-18(6,7)8/h9H,3H2,1-2,4-8H3
InChIKeyAVGMWIYUWWWPMY-UHFFFAOYSA-N
XLogP3.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.29
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'}

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Related Compounds

2,3-Diethoxy-4-(2-methylallyl)-4-trimethylsilyloxy-cyclobut-2-en-1-one
CID 394536
4-Hydroxy-3-methoxy-2-propan-2-yl-4-prop-1-en-2-ylcyclobut-2-en-1-one
CID 10512083
3,4-Dimethoxy-2-propan-2-yl-4-prop-1-en-2-ylcyclobut-2-en-1-one
CID 10560390
2-Ethenyl-3-methoxy-4-prop-2-enyl-4-trimethylsilyloxycyclobut-2-en-1-one
CID 10658491
2-Ethenyl-3-methoxy-4-(2-methylprop-2-enyl)-4-trimethylsilyloxycyclobut-2-en-1-one
CID 10683204
3-Methoxy-2-(2-methylprop-1-enyl)-4-prop-2-enyl-4-trimethylsilyloxycyclobut-2-en-1-one
CID 10826633

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-propan-2-yl-4-prop-1-en-2-yl-4-trimethylsilyloxycyclobut-2-en-1-one?
The IUPAC name of 3-methoxy-2-propan-2-yl-4-prop-1-en-2-yl-4-trimethylsilyloxycyclobut-2-en-1-one (CID 10539881) is 3-methoxy-2-propan-2-yl-4-prop-1-en-2-yl-4-trimethylsilyloxycyclobut-2-en-1-one.
What is the SMILES notation for 3-methoxy-2-propan-2-yl-4-prop-1-en-2-yl-4-trimethylsilyloxycyclobut-2-en-1-one?
The canonical SMILES for 3-methoxy-2-propan-2-yl-4-prop-1-en-2-yl-4-trimethylsilyloxycyclobut-2-en-1-one is C=C(C)C1(O[Si](C)(C)C)C(=O)C(C(C)C)=C1OC.
What is the InChIKey of 3-methoxy-2-propan-2-yl-4-prop-1-en-2-yl-4-trimethylsilyloxycyclobut-2-en-1-one?
The InChIKey is AVGMWIYUWWWPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3Si/c1-9(2)11-12(15)14(10(3)4,13(11)16-5)17-18(6,7)8/h9H,3H2,1-2,4-8H3.
What are the key properties of 3-methoxy-2-propan-2-yl-4-prop-1-en-2-yl-4-trimethylsilyloxycyclobut-2-en-1-one?
3-methoxy-2-propan-2-yl-4-prop-1-en-2-yl-4-trimethylsilyloxycyclobut-2-en-1-one has a molecular weight of 268.43 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-propan-2-yl-4-prop-1-en-2-yl-4-trimethylsilyloxycyclobut-2-en-1-one is sourced from PubChem (CID 10539881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).