cyclodecapentaenecarboxylic acid;methane

C12H14O2 — CID 162272407

IUPACcyclodecapentaenecarboxylic acid;methane
SMILESC.O=C(O)c1ccccccccc1
InChIInChI=1S/C11H10O2.CH4/c12-11(13)10-8-6-4-2-1-3-5-7-9-10;/h1-9H,(H,12,13);1H4/b2-1-,3-1+,4-2-,5-3+,6-4-,7-5-,8-6+,9-7-,10-8-,10-9+;
InChIKeyCZSOFVABYFVEJY-WUKXWSKKSA-N
MW190.24 g/mol
LogP3.15
Rot. Bonds1

About cyclodecapentaenecarboxylic acid;methane

cyclodecapentaenecarboxylic acid;methane (PubChem CID 162272407) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is cyclodecapentaenecarboxylic acid;methane.

Molecular Properties

Compound Namecyclodecapentaenecarboxylic acid;methane
PubChem CID162272407
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Namecyclodecapentaenecarboxylic acid;methane
SMILESC.O=C(O)c1ccccccccc1
InChIInChI=1S/C11H10O2.CH4/c12-11(13)10-8-6-4-2-1-3-5-7-9-10;/h1-9H,(H,12,13);1H4/b2-1-,3-1+,4-2-,5-3+,6-4-,7-5-,8-6+,9-7-,10-8-,10-9+;
InChIKeyCZSOFVABYFVEJY-WUKXWSKKSA-N
XLogP3.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclodecapentaenecarboxylic acid;methane?
The IUPAC name of cyclodecapentaenecarboxylic acid;methane (CID 162272407) is cyclodecapentaenecarboxylic acid;methane.
What is the SMILES notation for cyclodecapentaenecarboxylic acid;methane?
The canonical SMILES for cyclodecapentaenecarboxylic acid;methane is C.O=C(O)c1ccccccccc1.
What is the InChIKey of cyclodecapentaenecarboxylic acid;methane?
The InChIKey is CZSOFVABYFVEJY-WUKXWSKKSA-N. The full InChI is InChI=1S/C11H10O2.CH4/c12-11(13)10-8-6-4-2-1-3-5-7-9-10;/h1-9H,(H,12,13);1H4/b2-1-,3-1+,4-2-,5-3+,6-4-,7-5-,8-6+,9-7-,10-8-,10-9+;.
What are the key properties of cyclodecapentaenecarboxylic acid;methane?
cyclodecapentaenecarboxylic acid;methane has a molecular weight of 190.24 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclodecapentaenecarboxylic acid;methane is sourced from PubChem (CID 162272407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).