acetic acid;ethane;bis(1-ethenylnaphthalene)

C28H30O2 — CID 91317530

IUPACacetic acid;ethane;bis(1-ethenylnaphthalene)
SMILESC=Cc1cccc2ccccc12.C=Cc1cccc2ccccc12.CC.CC(=O)O
InChIInChI=1S/2C12H10.C2H4O2.C2H6/c2*1-2-10-7-5-8-11-6-3-4-9-12(10)11;1-2(3)4;1-2/h2*2-9H,1H2;1H3,(H,3,4);1-2H3
InChIKeySWGJPJRYZUPFDW-UHFFFAOYSA-N
MW398.55 g/mol
LogP8.08
Rot. Bonds2

About acetic acid;ethane;bis(1-ethenylnaphthalene)

acetic acid;ethane;bis(1-ethenylnaphthalene) (PubChem CID 91317530) has the molecular formula C28H30O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is acetic acid;ethane;bis(1-ethenylnaphthalene).

Molecular Properties

Compound Nameacetic acid;ethane;bis(1-ethenylnaphthalene)
PubChem CID91317530
Molecular FormulaC28H30O2
Molecular Weight398.55 g/mol
Exact Mass398.22
IUPAC Nameacetic acid;ethane;bis(1-ethenylnaphthalene)
SMILESC=Cc1cccc2ccccc12.C=Cc1cccc2ccccc12.CC.CC(=O)O
InChIInChI=1S/2C12H10.C2H4O2.C2H6/c2*1-2-10-7-5-8-11-6-3-4-9-12(10)11;1-2(3)4;1-2/h2*2-9H,1H2;1H3,(H,3,4);1-2H3
InChIKeySWGJPJRYZUPFDW-UHFFFAOYSA-N
XLogP8.08
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.55
LogP ≤ 58.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze acetic acid;ethane;bis(1-ethenylnaphthalene) with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of acetic acid;ethane;bis(1-ethenylnaphthalene)?
The IUPAC name of acetic acid;ethane;bis(1-ethenylnaphthalene) (CID 91317530) is acetic acid;ethane;bis(1-ethenylnaphthalene).
What is the SMILES notation for acetic acid;ethane;bis(1-ethenylnaphthalene)?
The canonical SMILES for acetic acid;ethane;bis(1-ethenylnaphthalene) is C=Cc1cccc2ccccc12.C=Cc1cccc2ccccc12.CC.CC(=O)O.
What is the InChIKey of acetic acid;ethane;bis(1-ethenylnaphthalene)?
The InChIKey is SWGJPJRYZUPFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H10.C2H4O2.C2H6/c2*1-2-10-7-5-8-11-6-3-4-9-12(10)11;1-2(3)4;1-2/h2*2-9H,1H2;1H3,(H,3,4);1-2H3.
What are the key properties of acetic acid;ethane;bis(1-ethenylnaphthalene)?
acetic acid;ethane;bis(1-ethenylnaphthalene) has a molecular weight of 398.55 g/mol, XLogP of 8.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;ethane;bis(1-ethenylnaphthalene) is sourced from PubChem (CID 91317530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).