tert-butyl 2-cyclopent-3-en-1-yloxyacetate

C11H18O3 — CID 123892094

IUPACtert-butyl 2-cyclopent-3-en-1-yloxyacetate
SMILESCC(C)(C)OC(=O)COC1CC=CC1
InChIInChI=1S/C11H18O3/c1-11(2,3)14-10(12)8-13-9-6-4-5-7-9/h4-5,9H,6-8H2,1-3H3
InChIKeyKLFJXTSTYQPHDM-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.06
Rot. Bonds3

About tert-butyl 2-cyclopent-3-en-1-yloxyacetate

tert-butyl 2-cyclopent-3-en-1-yloxyacetate (PubChem CID 123892094) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is tert-butyl 2-cyclopent-3-en-1-yloxyacetate.

Molecular Properties

Compound Nametert-butyl 2-cyclopent-3-en-1-yloxyacetate
PubChem CID123892094
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Nametert-butyl 2-cyclopent-3-en-1-yloxyacetate
SMILESCC(C)(C)OC(=O)COC1CC=CC1
InChIInChI=1S/C11H18O3/c1-11(2,3)14-10(12)8-13-9-6-4-5-7-9/h4-5,9H,6-8H2,1-3H3
InChIKeyKLFJXTSTYQPHDM-UHFFFAOYSA-N
XLogP2.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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tert-butyl 2-[4-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]oxyacetate
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tert-butyl 9-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-3-azaspiro[5.5]undecane-4-carboxylate
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1-O-(4-hydroxycyclohexyl) 5-O-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]cyclohexyl] 2-ethyl-2,4,4-trimethylpentanedioate
CID 140535498
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CID 22023846

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-cyclopent-3-en-1-yloxyacetate?
The IUPAC name of tert-butyl 2-cyclopent-3-en-1-yloxyacetate (CID 123892094) is tert-butyl 2-cyclopent-3-en-1-yloxyacetate.
What is the SMILES notation for tert-butyl 2-cyclopent-3-en-1-yloxyacetate?
The canonical SMILES for tert-butyl 2-cyclopent-3-en-1-yloxyacetate is CC(C)(C)OC(=O)COC1CC=CC1.
What is the InChIKey of tert-butyl 2-cyclopent-3-en-1-yloxyacetate?
The InChIKey is KLFJXTSTYQPHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-11(2,3)14-10(12)8-13-9-6-4-5-7-9/h4-5,9H,6-8H2,1-3H3.
What are the key properties of tert-butyl 2-cyclopent-3-en-1-yloxyacetate?
tert-butyl 2-cyclopent-3-en-1-yloxyacetate has a molecular weight of 198.26 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-cyclopent-3-en-1-yloxyacetate is sourced from PubChem (CID 123892094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).