5,5-di(cyclopenten-1-yloxy)-2-methylpent-2-enoic acid

C16H22O4 — CID 57057795

IUPAC5,5-di(cyclopenten-1-yloxy)-2-methylpent-2-enoic acid
SMILESCC(=CCC(OC1=CCCC1)OC1=CCCC1)C(=O)O
InChIInChI=1S/C16H22O4/c1-12(16(17)18)10-11-15(19-13-6-2-3-7-13)20-14-8-4-5-9-14/h6,8,10,15H,2-5,7,9,11H2,1H3,(H,17,18)
InChIKeyUGURHJVKNQSDEC-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.90
Rot. Bonds7

About 5,5-di(cyclopenten-1-yloxy)-2-methylpent-2-enoic acid

5,5-di(cyclopenten-1-yloxy)-2-methylpent-2-enoic acid (PubChem CID 57057795) has the molecular formula C16H22O4 and a molecular weight of 278.35 g/mol. Its IUPAC name is 5,5-di(cyclopenten-1-yloxy)-2-methylpent-2-enoic acid.

Molecular Properties

Compound Name5,5-di(cyclopenten-1-yloxy)-2-methylpent-2-enoic acid
PubChem CID57057795
Molecular FormulaC16H22O4
Molecular Weight278.35 g/mol
Exact Mass278.15
IUPAC Name5,5-di(cyclopenten-1-yloxy)-2-methylpent-2-enoic acid
SMILESCC(=CCC(OC1=CCCC1)OC1=CCCC1)C(=O)O
InChIInChI=1S/C16H22O4/c1-12(16(17)18)10-11-15(19-13-6-2-3-7-13)20-14-8-4-5-9-14/h6,8,10,15H,2-5,7,9,11H2,1H3,(H,17,18)
InChIKeyUGURHJVKNQSDEC-UHFFFAOYSA-N
XLogP3.90
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,5-di(cyclopenten-1-yloxy)-2-methylpent-2-enoic acid?
The IUPAC name of 5,5-di(cyclopenten-1-yloxy)-2-methylpent-2-enoic acid (CID 57057795) is 5,5-di(cyclopenten-1-yloxy)-2-methylpent-2-enoic acid.
What is the SMILES notation for 5,5-di(cyclopenten-1-yloxy)-2-methylpent-2-enoic acid?
The canonical SMILES for 5,5-di(cyclopenten-1-yloxy)-2-methylpent-2-enoic acid is CC(=CCC(OC1=CCCC1)OC1=CCCC1)C(=O)O.
What is the InChIKey of 5,5-di(cyclopenten-1-yloxy)-2-methylpent-2-enoic acid?
The InChIKey is UGURHJVKNQSDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O4/c1-12(16(17)18)10-11-15(19-13-6-2-3-7-13)20-14-8-4-5-9-14/h6,8,10,15H,2-5,7,9,11H2,1H3,(H,17,18).
What are the key properties of 5,5-di(cyclopenten-1-yloxy)-2-methylpent-2-enoic acid?
5,5-di(cyclopenten-1-yloxy)-2-methylpent-2-enoic acid has a molecular weight of 278.35 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-di(cyclopenten-1-yloxy)-2-methylpent-2-enoic acid is sourced from PubChem (CID 57057795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).