tert-butyl 2-cyclooctyl-2-oxoacetate

C14H24O3 — CID 141407895

IUPACtert-butyl 2-cyclooctyl-2-oxoacetate
SMILESCC(C)(C)OC(=O)C(=O)C1CCCCCCC1
InChIInChI=1S/C14H24O3/c1-14(2,3)17-13(16)12(15)11-9-7-5-4-6-8-10-11/h11H,4-10H2,1-3H3
InChIKeyUDOFPDVIPUVYLA-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.26
Rot. Bonds2

About tert-butyl 2-cyclooctyl-2-oxoacetate

tert-butyl 2-cyclooctyl-2-oxoacetate (PubChem CID 141407895) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is tert-butyl 2-cyclooctyl-2-oxoacetate.

Molecular Properties

Compound Nametert-butyl 2-cyclooctyl-2-oxoacetate
PubChem CID141407895
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Nametert-butyl 2-cyclooctyl-2-oxoacetate
SMILESCC(C)(C)OC(=O)C(=O)C1CCCCCCC1
InChIInChI=1S/C14H24O3/c1-14(2,3)17-13(16)12(15)11-9-7-5-4-6-8-10-11/h11H,4-10H2,1-3H3
InChIKeyUDOFPDVIPUVYLA-UHFFFAOYSA-N
XLogP3.26
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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tert-butyl 2-cyclohexylpiperidine-1-carboxylate
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tert-butyl 3-cyclohexyl-2-methylprop-2-enoate;tert-butyl 2-cyclohexylprop-2-enoate
CID 155169215
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CID 11053722
tert-butyl 2-[cyclohexyl(hydroxy)methyl]prop-2-enoate
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tert-butyl (5aR,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b]azepine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-cyclooctyl-2-oxoacetate?
The IUPAC name of tert-butyl 2-cyclooctyl-2-oxoacetate (CID 141407895) is tert-butyl 2-cyclooctyl-2-oxoacetate.
What is the SMILES notation for tert-butyl 2-cyclooctyl-2-oxoacetate?
The canonical SMILES for tert-butyl 2-cyclooctyl-2-oxoacetate is CC(C)(C)OC(=O)C(=O)C1CCCCCCC1.
What is the InChIKey of tert-butyl 2-cyclooctyl-2-oxoacetate?
The InChIKey is UDOFPDVIPUVYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-14(2,3)17-13(16)12(15)11-9-7-5-4-6-8-10-11/h11H,4-10H2,1-3H3.
What are the key properties of tert-butyl 2-cyclooctyl-2-oxoacetate?
tert-butyl 2-cyclooctyl-2-oxoacetate has a molecular weight of 240.34 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-cyclooctyl-2-oxoacetate is sourced from PubChem (CID 141407895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).