4-cyclohexyloxy-3-methyl-4-oxo-2-trimethylsilylbut-2-enoic acid

C14H24O4Si — CID 54513764

IUPAC4-cyclohexyloxy-3-methyl-4-oxo-2-trimethylsilylbut-2-enoic acid
SMILESCC(C(=O)OC1CCCCC1)=C(C(=O)O)[Si](C)(C)C
InChIInChI=1S/C14H24O4Si/c1-10(12(13(15)16)19(2,3)4)14(17)18-11-8-6-5-7-9-11/h11H,5-9H2,1-4H3,(H,15,16)
InChIKeyYKYQMIKWPPYYOZ-UHFFFAOYSA-N
MW284.43 g/mol
LogP3.14
Rot. Bonds4

About 4-cyclohexyloxy-3-methyl-4-oxo-2-trimethylsilylbut-2-enoic acid

4-cyclohexyloxy-3-methyl-4-oxo-2-trimethylsilylbut-2-enoic acid (PubChem CID 54513764) has the molecular formula C14H24O4Si and a molecular weight of 284.43 g/mol. Its IUPAC name is 4-cyclohexyloxy-3-methyl-4-oxo-2-trimethylsilylbut-2-enoic acid.

Molecular Properties

Compound Name4-cyclohexyloxy-3-methyl-4-oxo-2-trimethylsilylbut-2-enoic acid
PubChem CID54513764
Molecular FormulaC14H24O4Si
Molecular Weight284.43 g/mol
Exact Mass284.14
IUPAC Name4-cyclohexyloxy-3-methyl-4-oxo-2-trimethylsilylbut-2-enoic acid
SMILESCC(C(=O)OC1CCCCC1)=C(C(=O)O)[Si](C)(C)C
InChIInChI=1S/C14H24O4Si/c1-10(12(13(15)16)19(2,3)4)14(17)18-11-8-6-5-7-9-11/h11H,5-9H2,1-4H3,(H,15,16)
InChIKeyYKYQMIKWPPYYOZ-UHFFFAOYSA-N
XLogP3.14
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

cyclopentyl 2,3-dimethylbut-2-enoate
CID 131134401
cyclohexyl 2-trimethylsilylprop-2-enoate
CID 139634302
2-O-cycloheptyl 1-O-cyclooctyl oxalate
CID 57251206
carbonic acid;cyclohexyl 2-methylprop-2-enoate
CID 89120265
cyclohexyl 2-methylprop-2-enoate;2-methylprop-1-ene
CID 174922373
cyclohexyl 2-hydroxybut-2-enoate
CID 141455466
cyclododecyl 2-methylprop-2-enoate;methane
CID 174824208
cyclohexyl 2-methylprop-2-enoate;methanol
CID 67315224
cycloheptadecyl acetate
CID 57215828
cyclopentyl (Z)-2-methylbut-2-enoate
CID 70402433
azane;cyclohexyl acetate
CID 174554221
cyclohexyl acetate;dihydrochloride
CID 140971070

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyloxy-3-methyl-4-oxo-2-trimethylsilylbut-2-enoic acid?
The IUPAC name of 4-cyclohexyloxy-3-methyl-4-oxo-2-trimethylsilylbut-2-enoic acid (CID 54513764) is 4-cyclohexyloxy-3-methyl-4-oxo-2-trimethylsilylbut-2-enoic acid.
What is the SMILES notation for 4-cyclohexyloxy-3-methyl-4-oxo-2-trimethylsilylbut-2-enoic acid?
The canonical SMILES for 4-cyclohexyloxy-3-methyl-4-oxo-2-trimethylsilylbut-2-enoic acid is CC(C(=O)OC1CCCCC1)=C(C(=O)O)[Si](C)(C)C.
What is the InChIKey of 4-cyclohexyloxy-3-methyl-4-oxo-2-trimethylsilylbut-2-enoic acid?
The InChIKey is YKYQMIKWPPYYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4Si/c1-10(12(13(15)16)19(2,3)4)14(17)18-11-8-6-5-7-9-11/h11H,5-9H2,1-4H3,(H,15,16).
What are the key properties of 4-cyclohexyloxy-3-methyl-4-oxo-2-trimethylsilylbut-2-enoic acid?
4-cyclohexyloxy-3-methyl-4-oxo-2-trimethylsilylbut-2-enoic acid has a molecular weight of 284.43 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyloxy-3-methyl-4-oxo-2-trimethylsilylbut-2-enoic acid is sourced from PubChem (CID 54513764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).