ethyl 2-(5,5-dimethyl-2-oxooxolan-3-yl)cyclopentene-1-carboxylate

C14H20O4 — CID 100993845

IUPACethyl 2-(5,5-dimethyl-2-oxooxolan-3-yl)cyclopentene-1-carboxylate
SMILESCCOC(=O)C1=C(C2CC(C)(C)OC2=O)CCC1
InChIInChI=1S/C14H20O4/c1-4-17-12(15)10-7-5-6-9(10)11-8-14(2,3)18-13(11)16/h11H,4-8H2,1-3H3
InChIKeyQCZWULMLUCQMKH-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.37
Rot. Bonds3

About ethyl 2-(5,5-dimethyl-2-oxooxolan-3-yl)cyclopentene-1-carboxylate

ethyl 2-(5,5-dimethyl-2-oxooxolan-3-yl)cyclopentene-1-carboxylate (PubChem CID 100993845) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is ethyl 2-(5,5-dimethyl-2-oxooxolan-3-yl)cyclopentene-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(5,5-dimethyl-2-oxooxolan-3-yl)cyclopentene-1-carboxylate
PubChem CID100993845
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Nameethyl 2-(5,5-dimethyl-2-oxooxolan-3-yl)cyclopentene-1-carboxylate
SMILESCCOC(=O)C1=C(C2CC(C)(C)OC2=O)CCC1
InChIInChI=1S/C14H20O4/c1-4-17-12(15)10-7-5-6-9(10)11-8-14(2,3)18-13(11)16/h11H,4-8H2,1-3H3
InChIKeyQCZWULMLUCQMKH-UHFFFAOYSA-N
XLogP2.37
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5,5-dimethyl-2-oxooxolan-3-yl)cyclopentene-1-carboxylate?
The IUPAC name of ethyl 2-(5,5-dimethyl-2-oxooxolan-3-yl)cyclopentene-1-carboxylate (CID 100993845) is ethyl 2-(5,5-dimethyl-2-oxooxolan-3-yl)cyclopentene-1-carboxylate.
What is the SMILES notation for ethyl 2-(5,5-dimethyl-2-oxooxolan-3-yl)cyclopentene-1-carboxylate?
The canonical SMILES for ethyl 2-(5,5-dimethyl-2-oxooxolan-3-yl)cyclopentene-1-carboxylate is CCOC(=O)C1=C(C2CC(C)(C)OC2=O)CCC1.
What is the InChIKey of ethyl 2-(5,5-dimethyl-2-oxooxolan-3-yl)cyclopentene-1-carboxylate?
The InChIKey is QCZWULMLUCQMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-4-17-12(15)10-7-5-6-9(10)11-8-14(2,3)18-13(11)16/h11H,4-8H2,1-3H3.
What are the key properties of ethyl 2-(5,5-dimethyl-2-oxooxolan-3-yl)cyclopentene-1-carboxylate?
ethyl 2-(5,5-dimethyl-2-oxooxolan-3-yl)cyclopentene-1-carboxylate has a molecular weight of 252.31 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5,5-dimethyl-2-oxooxolan-3-yl)cyclopentene-1-carboxylate is sourced from PubChem (CID 100993845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).