2-[5-(2-methoxy-2-oxoethyl)-3-bicyclo[5.2.1]dec-8-enyl]acetic acid

C15H22O4 — CID 134267648

IUPAC2-[5-(2-methoxy-2-oxoethyl)-3-bicyclo[5.2.1]dec-8-enyl]acetic acid
SMILESCOC(=O)CC1CC2C=CC(C2)CC(CC(=O)O)C1
InChIInChI=1S/C15H22O4/c1-19-15(18)9-13-6-11-3-2-10(4-11)5-12(7-13)8-14(16)17/h2-3,10-13H,4-9H2,1H3,(H,16,17)
InChIKeyCFPOTLSRRDYXJO-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.63
Rot. Bonds4

About 2-[5-(2-methoxy-2-oxoethyl)-3-bicyclo[5.2.1]dec-8-enyl]acetic acid

2-[5-(2-methoxy-2-oxoethyl)-3-bicyclo[5.2.1]dec-8-enyl]acetic acid (PubChem CID 134267648) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[5-(2-methoxy-2-oxoethyl)-3-bicyclo[5.2.1]dec-8-enyl]acetic acid.

Molecular Properties

Compound Name2-[5-(2-methoxy-2-oxoethyl)-3-bicyclo[5.2.1]dec-8-enyl]acetic acid
PubChem CID134267648
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name2-[5-(2-methoxy-2-oxoethyl)-3-bicyclo[5.2.1]dec-8-enyl]acetic acid
SMILESCOC(=O)CC1CC2C=CC(C2)CC(CC(=O)O)C1
InChIInChI=1S/C15H22O4/c1-19-15(18)9-13-6-11-3-2-10(4-11)5-12(7-13)8-14(16)17/h2-3,10-13H,4-9H2,1H3,(H,16,17)
InChIKeyCFPOTLSRRDYXJO-UHFFFAOYSA-N
XLogP2.63
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-[5-(2-methoxy-2-oxoethyl)-3-bicyclo[5.2.1]dec-8-enyl]acetic acid?
The IUPAC name of 2-[5-(2-methoxy-2-oxoethyl)-3-bicyclo[5.2.1]dec-8-enyl]acetic acid (CID 134267648) is 2-[5-(2-methoxy-2-oxoethyl)-3-bicyclo[5.2.1]dec-8-enyl]acetic acid.
What is the SMILES notation for 2-[5-(2-methoxy-2-oxoethyl)-3-bicyclo[5.2.1]dec-8-enyl]acetic acid?
The canonical SMILES for 2-[5-(2-methoxy-2-oxoethyl)-3-bicyclo[5.2.1]dec-8-enyl]acetic acid is COC(=O)CC1CC2C=CC(C2)CC(CC(=O)O)C1.
What is the InChIKey of 2-[5-(2-methoxy-2-oxoethyl)-3-bicyclo[5.2.1]dec-8-enyl]acetic acid?
The InChIKey is CFPOTLSRRDYXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-19-15(18)9-13-6-11-3-2-10(4-11)5-12(7-13)8-14(16)17/h2-3,10-13H,4-9H2,1H3,(H,16,17).
What are the key properties of 2-[5-(2-methoxy-2-oxoethyl)-3-bicyclo[5.2.1]dec-8-enyl]acetic acid?
2-[5-(2-methoxy-2-oxoethyl)-3-bicyclo[5.2.1]dec-8-enyl]acetic acid has a molecular weight of 266.34 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methoxy-2-oxoethyl)-3-bicyclo[5.2.1]dec-8-enyl]acetic acid is sourced from PubChem (CID 134267648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).