ethyl spiro[2.2]pentane-2-carboxylate

C8H12O2 — CID 11105448

IUPACethyl spiro[2.2]pentane-2-carboxylate
SMILESCCOC(=O)C1CC12CC2
InChIInChI=1S/C8H12O2/c1-2-10-7(9)6-5-8(6)3-4-8/h6H,2-5H2,1H3
InChIKeyXUCMOZZGXYHEBV-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.35
Rot. Bonds2

About ethyl spiro[2.2]pentane-2-carboxylate

ethyl spiro[2.2]pentane-2-carboxylate (PubChem CID 11105448) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is ethyl spiro[2.2]pentane-2-carboxylate.

Molecular Properties

Compound Nameethyl spiro[2.2]pentane-2-carboxylate
PubChem CID11105448
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Nameethyl spiro[2.2]pentane-2-carboxylate
SMILESCCOC(=O)C1CC12CC2
InChIInChI=1S/C8H12O2/c1-2-10-7(9)6-5-8(6)3-4-8/h6H,2-5H2,1H3
InChIKeyXUCMOZZGXYHEBV-UHFFFAOYSA-N
XLogP1.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl spiro[2.2]pentane-2-carboxylate?
The IUPAC name of ethyl spiro[2.2]pentane-2-carboxylate (CID 11105448) is ethyl spiro[2.2]pentane-2-carboxylate.
What is the SMILES notation for ethyl spiro[2.2]pentane-2-carboxylate?
The canonical SMILES for ethyl spiro[2.2]pentane-2-carboxylate is CCOC(=O)C1CC12CC2.
What is the InChIKey of ethyl spiro[2.2]pentane-2-carboxylate?
The InChIKey is XUCMOZZGXYHEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-2-10-7(9)6-5-8(6)3-4-8/h6H,2-5H2,1H3.
What are the key properties of ethyl spiro[2.2]pentane-2-carboxylate?
ethyl spiro[2.2]pentane-2-carboxylate has a molecular weight of 140.18 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl spiro[2.2]pentane-2-carboxylate is sourced from PubChem (CID 11105448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).