ethyl spiro[2.4]hepta-4,6-diene-7-carboxylate

C10H12O2 — CID 10975819

IUPACethyl spiro[2.4]hepta-4,6-diene-7-carboxylate
SMILESCCOC(=O)C1=CC=CC12CC2
InChIInChI=1S/C10H12O2/c1-2-12-9(11)8-4-3-5-10(8)6-7-10/h3-5H,2,6-7H2,1H3
InChIKeyZXDULLDIISFZPS-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.83
Rot. Bonds2

About ethyl spiro[2.4]hepta-4,6-diene-7-carboxylate

ethyl spiro[2.4]hepta-4,6-diene-7-carboxylate (PubChem CID 10975819) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is ethyl spiro[2.4]hepta-4,6-diene-7-carboxylate.

Molecular Properties

Compound Nameethyl spiro[2.4]hepta-4,6-diene-7-carboxylate
PubChem CID10975819
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Nameethyl spiro[2.4]hepta-4,6-diene-7-carboxylate
SMILESCCOC(=O)C1=CC=CC12CC2
InChIInChI=1S/C10H12O2/c1-2-12-9(11)8-4-3-5-10(8)6-7-10/h3-5H,2,6-7H2,1H3
InChIKeyZXDULLDIISFZPS-UHFFFAOYSA-N
XLogP1.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl spiro[2.4]hepta-4,6-diene-7-carboxylate?
The IUPAC name of ethyl spiro[2.4]hepta-4,6-diene-7-carboxylate (CID 10975819) is ethyl spiro[2.4]hepta-4,6-diene-7-carboxylate.
What is the SMILES notation for ethyl spiro[2.4]hepta-4,6-diene-7-carboxylate?
The canonical SMILES for ethyl spiro[2.4]hepta-4,6-diene-7-carboxylate is CCOC(=O)C1=CC=CC12CC2.
What is the InChIKey of ethyl spiro[2.4]hepta-4,6-diene-7-carboxylate?
The InChIKey is ZXDULLDIISFZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-2-12-9(11)8-4-3-5-10(8)6-7-10/h3-5H,2,6-7H2,1H3.
What are the key properties of ethyl spiro[2.4]hepta-4,6-diene-7-carboxylate?
ethyl spiro[2.4]hepta-4,6-diene-7-carboxylate has a molecular weight of 164.20 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl spiro[2.4]hepta-4,6-diene-7-carboxylate is sourced from PubChem (CID 10975819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).