ethyl 4,4-dimethylcyclobutene-1-carboxylate

C9H14O2 — CID 58196311

IUPACethyl 4,4-dimethylcyclobutene-1-carboxylate
SMILESCCOC(=O)C1=CCC1(C)C
InChIInChI=1S/C9H14O2/c1-4-11-8(10)7-5-6-9(7,2)3/h5H,4,6H2,1-3H3
InChIKeyZRKKJKXJZWXPNE-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.91
Rot. Bonds2

About ethyl 4,4-dimethylcyclobutene-1-carboxylate

ethyl 4,4-dimethylcyclobutene-1-carboxylate (PubChem CID 58196311) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is ethyl 4,4-dimethylcyclobutene-1-carboxylate.

Molecular Properties

Compound Nameethyl 4,4-dimethylcyclobutene-1-carboxylate
PubChem CID58196311
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Nameethyl 4,4-dimethylcyclobutene-1-carboxylate
SMILESCCOC(=O)C1=CCC1(C)C
InChIInChI=1S/C9H14O2/c1-4-11-8(10)7-5-6-9(7,2)3/h5H,4,6H2,1-3H3
InChIKeyZRKKJKXJZWXPNE-UHFFFAOYSA-N
XLogP1.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 4,4-dimethylcyclobutene-1-carboxylate?
The IUPAC name of ethyl 4,4-dimethylcyclobutene-1-carboxylate (CID 58196311) is ethyl 4,4-dimethylcyclobutene-1-carboxylate.
What is the SMILES notation for ethyl 4,4-dimethylcyclobutene-1-carboxylate?
The canonical SMILES for ethyl 4,4-dimethylcyclobutene-1-carboxylate is CCOC(=O)C1=CCC1(C)C.
What is the InChIKey of ethyl 4,4-dimethylcyclobutene-1-carboxylate?
The InChIKey is ZRKKJKXJZWXPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-4-11-8(10)7-5-6-9(7,2)3/h5H,4,6H2,1-3H3.
What are the key properties of ethyl 4,4-dimethylcyclobutene-1-carboxylate?
ethyl 4,4-dimethylcyclobutene-1-carboxylate has a molecular weight of 154.21 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,4-dimethylcyclobutene-1-carboxylate is sourced from PubChem (CID 58196311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).