3-cyclopropyl-4-methoxy-4-methyl-2-tri(propan-2-yl)silylcyclobut-2-en-1-one

C18H32O2Si — CID 101456802

IUPAC3-cyclopropyl-4-methoxy-4-methyl-2-tri(propan-2-yl)silylcyclobut-2-en-1-one
SMILESCOC1(C)C(=O)C([Si](C(C)C)(C(C)C)C(C)C)=C1C1CC1
InChIInChI=1S/C18H32O2Si/c1-11(2)21(12(3)4,13(5)6)16-15(14-9-10-14)18(7,20-8)17(16)19/h11-14H,9-10H2,1-8H3
InChIKeyXJDVCAVGWZAKCW-UHFFFAOYSA-N
MW308.54 g/mol
LogP4.90
Rot. Bonds6

About 3-cyclopropyl-4-methoxy-4-methyl-2-tri(propan-2-yl)silylcyclobut-2-en-1-one

3-cyclopropyl-4-methoxy-4-methyl-2-tri(propan-2-yl)silylcyclobut-2-en-1-one (PubChem CID 101456802) has the molecular formula C18H32O2Si and a molecular weight of 308.54 g/mol. Its IUPAC name is 3-cyclopropyl-4-methoxy-4-methyl-2-tri(propan-2-yl)silylcyclobut-2-en-1-one.

Molecular Properties

Compound Name3-cyclopropyl-4-methoxy-4-methyl-2-tri(propan-2-yl)silylcyclobut-2-en-1-one
PubChem CID101456802
Molecular FormulaC18H32O2Si
Molecular Weight308.54 g/mol
Exact Mass308.22
IUPAC Name3-cyclopropyl-4-methoxy-4-methyl-2-tri(propan-2-yl)silylcyclobut-2-en-1-one
SMILESCOC1(C)C(=O)C([Si](C(C)C)(C(C)C)C(C)C)=C1C1CC1
InChIInChI=1S/C18H32O2Si/c1-11(2)21(12(3)4,13(5)6)16-15(14-9-10-14)18(7,20-8)17(16)19/h11-14H,9-10H2,1-8H3
InChIKeyXJDVCAVGWZAKCW-UHFFFAOYSA-N
XLogP4.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.54
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,2R,4S)-2-methoxy-2-methylbicyclo[2.2.1]heptan-7-one
CID 10931654
2-methoxy-2-methylcyclopropan-1-one
CID 57185083
3-propan-2-yl-3-azabicyclo[3.2.1]octan-8-one
CID 43810970
(1S,5S)-3-propan-2-yl-3-azabicyclo[3.2.1]octan-8-one
CID 98053855
3-methyl-3-propan-2-ylbicyclo[2.2.1]heptan-2-one
CID 164833317
(3aR,4S,6aR)-3a-hydroxy-4,6a-dimethyl-2,3-di(propan-2-yloxy)-5,6-dihydro-4H-pentalen-1-one
CID 14942206
4-methoxy-1-methylbicyclo[2.2.2]octan-2-one
CID 535116
(1R,4S)-7,7-dimethyl-1-propan-2-ylbicyclo[2.2.1]heptan-2-one
CID 129386391
(3S)-3-methoxy-2,2,3-trimethylcyclobutan-1-one
CID 96581858
methyl 4-cyclopropyl-3-propan-2-yl-1,2-thiazole-5-carboxylate
CID 171095984
4-cyclopropyl-2-(2-methoxypropyl)-1H-pyrimidin-6-one
CID 136730191
4-cyclopropyl-5-iodo-2-(2-methoxypropyl)-1H-pyrimidin-6-one
CID 136730224

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-methoxy-4-methyl-2-tri(propan-2-yl)silylcyclobut-2-en-1-one?
The IUPAC name of 3-cyclopropyl-4-methoxy-4-methyl-2-tri(propan-2-yl)silylcyclobut-2-en-1-one (CID 101456802) is 3-cyclopropyl-4-methoxy-4-methyl-2-tri(propan-2-yl)silylcyclobut-2-en-1-one.
What is the SMILES notation for 3-cyclopropyl-4-methoxy-4-methyl-2-tri(propan-2-yl)silylcyclobut-2-en-1-one?
The canonical SMILES for 3-cyclopropyl-4-methoxy-4-methyl-2-tri(propan-2-yl)silylcyclobut-2-en-1-one is COC1(C)C(=O)C([Si](C(C)C)(C(C)C)C(C)C)=C1C1CC1.
What is the InChIKey of 3-cyclopropyl-4-methoxy-4-methyl-2-tri(propan-2-yl)silylcyclobut-2-en-1-one?
The InChIKey is XJDVCAVGWZAKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O2Si/c1-11(2)21(12(3)4,13(5)6)16-15(14-9-10-14)18(7,20-8)17(16)19/h11-14H,9-10H2,1-8H3.
What are the key properties of 3-cyclopropyl-4-methoxy-4-methyl-2-tri(propan-2-yl)silylcyclobut-2-en-1-one?
3-cyclopropyl-4-methoxy-4-methyl-2-tri(propan-2-yl)silylcyclobut-2-en-1-one has a molecular weight of 308.54 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-methoxy-4-methyl-2-tri(propan-2-yl)silylcyclobut-2-en-1-one is sourced from PubChem (CID 101456802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).