pentacyclo[6.4.0.02,10.03,7.04,9]dodecane-8-carboxylic acid

C13H16O2 — CID 15449236

IUPACpentacyclo[6.4.0.02,10.03,7.04,9]dodecane-8-carboxylic acid
SMILESO=C(O)C12C3CCC4C3C3C(CCC31)C42
InChIInChI=1S/C13H16O2/c14-12(15)13-7-3-1-5-9(7)10-6(11(5)13)2-4-8(10)13/h5-11H,1-4H2,(H,14,15)
InChIKeySPSXIHOLGFLXNE-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.00
Rot. Bonds1

About pentacyclo[6.4.0.02,10.03,7.04,9]dodecane-8-carboxylic acid

pentacyclo[6.4.0.02,10.03,7.04,9]dodecane-8-carboxylic acid (PubChem CID 15449236) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is pentacyclo[6.4.0.02,10.03,7.04,9]dodecane-8-carboxylic acid.

Molecular Properties

Compound Namepentacyclo[6.4.0.02,10.03,7.04,9]dodecane-8-carboxylic acid
PubChem CID15449236
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Namepentacyclo[6.4.0.02,10.03,7.04,9]dodecane-8-carboxylic acid
SMILESO=C(O)C12C3CCC4C3C3C(CCC31)C42
InChIInChI=1S/C13H16O2/c14-12(15)13-7-3-1-5-9(7)10-6(11(5)13)2-4-8(10)13/h5-11H,1-4H2,(H,14,15)
InChIKeySPSXIHOLGFLXNE-UHFFFAOYSA-N
XLogP2.00
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of pentacyclo[6.4.0.02,10.03,7.04,9]dodecane-8-carboxylic acid?
The IUPAC name of pentacyclo[6.4.0.02,10.03,7.04,9]dodecane-8-carboxylic acid (CID 15449236) is pentacyclo[6.4.0.02,10.03,7.04,9]dodecane-8-carboxylic acid.
What is the SMILES notation for pentacyclo[6.4.0.02,10.03,7.04,9]dodecane-8-carboxylic acid?
The canonical SMILES for pentacyclo[6.4.0.02,10.03,7.04,9]dodecane-8-carboxylic acid is O=C(O)C12C3CCC4C3C3C(CCC31)C42.
What is the InChIKey of pentacyclo[6.4.0.02,10.03,7.04,9]dodecane-8-carboxylic acid?
The InChIKey is SPSXIHOLGFLXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c14-12(15)13-7-3-1-5-9(7)10-6(11(5)13)2-4-8(10)13/h5-11H,1-4H2,(H,14,15).
What are the key properties of pentacyclo[6.4.0.02,10.03,7.04,9]dodecane-8-carboxylic acid?
pentacyclo[6.4.0.02,10.03,7.04,9]dodecane-8-carboxylic acid has a molecular weight of 204.27 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentacyclo[6.4.0.02,10.03,7.04,9]dodecane-8-carboxylic acid is sourced from PubChem (CID 15449236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).