bis(prop-1-ene);prop-2-enoic acid

C9H16O2 — CID 118194844

IUPACbis(prop-1-ene);prop-2-enoic acid
SMILESC=CC.C=CC.C=CC(=O)O
InChIInChI=1S/C3H4O2.2C3H6/c1-2-3(4)5;2*1-3-2/h2H,1H2,(H,4,5);2*3H,1H2,2H3
InChIKeyDAQRWPVESCTUEK-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.64
Rot. Bonds1

About bis(prop-1-ene);prop-2-enoic acid

bis(prop-1-ene);prop-2-enoic acid (PubChem CID 118194844) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is bis(prop-1-ene);prop-2-enoic acid.

Molecular Properties

Compound Namebis(prop-1-ene);prop-2-enoic acid
PubChem CID118194844
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Namebis(prop-1-ene);prop-2-enoic acid
SMILESC=CC.C=CC.C=CC(=O)O
InChIInChI=1S/C3H4O2.2C3H6/c1-2-3(4)5;2*1-3-2/h2H,1H2,(H,4,5);2*3H,1H2,2H3
InChIKeyDAQRWPVESCTUEK-UHFFFAOYSA-N
XLogP2.64
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(prop-1-ene);prop-2-enoic acid?
The IUPAC name of bis(prop-1-ene);prop-2-enoic acid (CID 118194844) is bis(prop-1-ene);prop-2-enoic acid.
What is the SMILES notation for bis(prop-1-ene);prop-2-enoic acid?
The canonical SMILES for bis(prop-1-ene);prop-2-enoic acid is C=CC.C=CC.C=CC(=O)O.
What is the InChIKey of bis(prop-1-ene);prop-2-enoic acid?
The InChIKey is DAQRWPVESCTUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O2.2C3H6/c1-2-3(4)5;2*1-3-2/h2H,1H2,(H,4,5);2*3H,1H2,2H3.
What are the key properties of bis(prop-1-ene);prop-2-enoic acid?
bis(prop-1-ene);prop-2-enoic acid has a molecular weight of 156.22 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-1-ene);prop-2-enoic acid is sourced from PubChem (CID 118194844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).