2,2-bis(prop-2-enyl)pent-4-enoic acid

C11H16O2 — CID 12624746

IUPAC2,2-bis(prop-2-enyl)pent-4-enoic acid
SMILESC=CCC(CC=C)(CC=C)C(=O)O
InChIInChI=1S/C11H16O2/c1-4-7-11(8-5-2,9-6-3)10(12)13/h4-6H,1-3,7-9H2,(H,12,13)
InChIKeyPUYNRISIYKUILU-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.79
Rot. Bonds7

About 2,2-bis(prop-2-enyl)pent-4-enoic acid

2,2-bis(prop-2-enyl)pent-4-enoic acid (PubChem CID 12624746) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2,2-bis(prop-2-enyl)pent-4-enoic acid.

Molecular Properties

Compound Name2,2-bis(prop-2-enyl)pent-4-enoic acid
PubChem CID12624746
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name2,2-bis(prop-2-enyl)pent-4-enoic acid
SMILESC=CCC(CC=C)(CC=C)C(=O)O
InChIInChI=1S/C11H16O2/c1-4-7-11(8-5-2,9-6-3)10(12)13/h4-6H,1-3,7-9H2,(H,12,13)
InChIKeyPUYNRISIYKUILU-UHFFFAOYSA-N
XLogP2.79
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(prop-2-enyl)pent-4-enoic acid?
The IUPAC name of 2,2-bis(prop-2-enyl)pent-4-enoic acid (CID 12624746) is 2,2-bis(prop-2-enyl)pent-4-enoic acid.
What is the SMILES notation for 2,2-bis(prop-2-enyl)pent-4-enoic acid?
The canonical SMILES for 2,2-bis(prop-2-enyl)pent-4-enoic acid is C=CCC(CC=C)(CC=C)C(=O)O.
What is the InChIKey of 2,2-bis(prop-2-enyl)pent-4-enoic acid?
The InChIKey is PUYNRISIYKUILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-4-7-11(8-5-2,9-6-3)10(12)13/h4-6H,1-3,7-9H2,(H,12,13).
What are the key properties of 2,2-bis(prop-2-enyl)pent-4-enoic acid?
2,2-bis(prop-2-enyl)pent-4-enoic acid has a molecular weight of 180.25 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(prop-2-enyl)pent-4-enoic acid is sourced from PubChem (CID 12624746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).