acetic acid;bis(cyclopenta-1,3-diene)

C12H16O2 — CID 67827071

IUPACacetic acid;bis(cyclopenta-1,3-diene)
SMILESC1=CCC=C1.C1=CCC=C1.CC(=O)O
InChIInChI=1S/2C5H6.C2H4O2/c2*1-2-4-5-3-1;1-2(3)4/h2*1-4H,5H2;1H3,(H,3,4)
InChIKeyCWIYDGXENIBIEI-UHFFFAOYSA-N
MW192.26 g/mol
LogP3.10
Rot. Bonds

About acetic acid;bis(cyclopenta-1,3-diene)

acetic acid;bis(cyclopenta-1,3-diene) (PubChem CID 67827071) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is acetic acid;bis(cyclopenta-1,3-diene).

Molecular Properties

Compound Nameacetic acid;bis(cyclopenta-1,3-diene)
PubChem CID67827071
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Nameacetic acid;bis(cyclopenta-1,3-diene)
SMILESC1=CCC=C1.C1=CCC=C1.CC(=O)O
InChIInChI=1S/2C5H6.C2H4O2/c2*1-2-4-5-3-1;1-2(3)4/h2*1-4H,5H2;1H3,(H,3,4)
InChIKeyCWIYDGXENIBIEI-UHFFFAOYSA-N
XLogP3.10
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze acetic acid;bis(cyclopenta-1,3-diene) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-but-2-enedioic acid;cyclohepta-1,3,5-triene
CID 174680110
acetic acid;cycloocta-1,3-diene;rhodium
CID 173076417
acetic acid;nickel(2+)
CID 22169473
cyclopenta-1,3-diene
CID 159248657
cyclopenta-1,3-diene;scandium
CID 158619793
bis(cyclopenta-1,3-diene);hydrobromide
CID 173376640
sodium cyclopenta-1,3-diene
CID 19606718
potassium cyclopenta-1,3-diene
CID 22494929
cyclopenta-1,3-diene;osmium
CID 161133624
(1E,3Z,5E)-cyclododeca-1,3,5,8,10-pentaene
CID 173030962
chromium;cyclopenta-1,3-diene
CID 158699246
(1Z,3E,5Z,8E)-cyclododeca-1,3,5,8,10-pentaene
CID 173118485

Frequently Asked Questions

What is the IUPAC name of acetic acid;bis(cyclopenta-1,3-diene)?
The IUPAC name of acetic acid;bis(cyclopenta-1,3-diene) (CID 67827071) is acetic acid;bis(cyclopenta-1,3-diene).
What is the SMILES notation for acetic acid;bis(cyclopenta-1,3-diene)?
The canonical SMILES for acetic acid;bis(cyclopenta-1,3-diene) is C1=CCC=C1.C1=CCC=C1.CC(=O)O.
What is the InChIKey of acetic acid;bis(cyclopenta-1,3-diene)?
The InChIKey is CWIYDGXENIBIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H6.C2H4O2/c2*1-2-4-5-3-1;1-2(3)4/h2*1-4H,5H2;1H3,(H,3,4).
What are the key properties of acetic acid;bis(cyclopenta-1,3-diene)?
acetic acid;bis(cyclopenta-1,3-diene) has a molecular weight of 192.26 g/mol, XLogP of 3.10, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;bis(cyclopenta-1,3-diene) is sourced from PubChem (CID 67827071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).