4-ethylspiro[4.5]dec-1-ene-4-carboxylic acid

C13H20O2 — CID 131984267

IUPAC4-ethylspiro[4.5]dec-1-ene-4-carboxylic acid
SMILESCCC1(C(=O)O)CC=CC12CCCCC2
InChIInChI=1S/C13H20O2/c1-2-13(11(14)15)10-6-9-12(13)7-4-3-5-8-12/h6,9H,2-5,7-8,10H2,1H3,(H,14,15)
InChIKeyBVYKSGHVJKMCSC-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.38
Rot. Bonds2

About 4-ethylspiro[4.5]dec-1-ene-4-carboxylic acid

4-ethylspiro[4.5]dec-1-ene-4-carboxylic acid (PubChem CID 131984267) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 4-ethylspiro[4.5]dec-1-ene-4-carboxylic acid.

Molecular Properties

Compound Name4-ethylspiro[4.5]dec-1-ene-4-carboxylic acid
PubChem CID131984267
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name4-ethylspiro[4.5]dec-1-ene-4-carboxylic acid
SMILESCCC1(C(=O)O)CC=CC12CCCCC2
InChIInChI=1S/C13H20O2/c1-2-13(11(14)15)10-6-9-12(13)7-4-3-5-8-12/h6,9H,2-5,7-8,10H2,1H3,(H,14,15)
InChIKeyBVYKSGHVJKMCSC-UHFFFAOYSA-N
XLogP3.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethylspiro[4.5]dec-1-ene-4-carboxylic acid?
The IUPAC name of 4-ethylspiro[4.5]dec-1-ene-4-carboxylic acid (CID 131984267) is 4-ethylspiro[4.5]dec-1-ene-4-carboxylic acid.
What is the SMILES notation for 4-ethylspiro[4.5]dec-1-ene-4-carboxylic acid?
The canonical SMILES for 4-ethylspiro[4.5]dec-1-ene-4-carboxylic acid is CCC1(C(=O)O)CC=CC12CCCCC2.
What is the InChIKey of 4-ethylspiro[4.5]dec-1-ene-4-carboxylic acid?
The InChIKey is BVYKSGHVJKMCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-2-13(11(14)15)10-6-9-12(13)7-4-3-5-8-12/h6,9H,2-5,7-8,10H2,1H3,(H,14,15).
What are the key properties of 4-ethylspiro[4.5]dec-1-ene-4-carboxylic acid?
4-ethylspiro[4.5]dec-1-ene-4-carboxylic acid has a molecular weight of 208.30 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylspiro[4.5]dec-1-ene-4-carboxylic acid is sourced from PubChem (CID 131984267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).