3-(cyclopenten-1-yloxy)-2-(cyclopenten-1-yloxymethyl)-4-methylpent-2-enoic acid

C17H24O4 — CID 67877980

IUPAC3-(cyclopenten-1-yloxy)-2-(cyclopenten-1-yloxymethyl)-4-methylpent-2-enoic acid
SMILESCC(C)C(OC1=CCCC1)=C(COC1=CCCC1)C(=O)O
InChIInChI=1S/C17H24O4/c1-12(2)16(21-14-9-5-6-10-14)15(17(18)19)11-20-13-7-3-4-8-13/h7,9,12H,3-6,8,10-11H2,1-2H3,(H,18,19)
InChIKeyLCNLUJUISORRAS-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.15
Rot. Bonds7

About 3-(cyclopenten-1-yloxy)-2-(cyclopenten-1-yloxymethyl)-4-methylpent-2-enoic acid

3-(cyclopenten-1-yloxy)-2-(cyclopenten-1-yloxymethyl)-4-methylpent-2-enoic acid (PubChem CID 67877980) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-(cyclopenten-1-yloxy)-2-(cyclopenten-1-yloxymethyl)-4-methylpent-2-enoic acid.

Molecular Properties

Compound Name3-(cyclopenten-1-yloxy)-2-(cyclopenten-1-yloxymethyl)-4-methylpent-2-enoic acid
PubChem CID67877980
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Name3-(cyclopenten-1-yloxy)-2-(cyclopenten-1-yloxymethyl)-4-methylpent-2-enoic acid
SMILESCC(C)C(OC1=CCCC1)=C(COC1=CCCC1)C(=O)O
InChIInChI=1S/C17H24O4/c1-12(2)16(21-14-9-5-6-10-14)15(17(18)19)11-20-13-7-3-4-8-13/h7,9,12H,3-6,8,10-11H2,1-2H3,(H,18,19)
InChIKeyLCNLUJUISORRAS-UHFFFAOYSA-N
XLogP4.15
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(cyclopenten-1-yloxy)-2-(cyclopenten-1-yloxymethyl)-4-methylpent-2-enoic acid 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 3-(cyclopenten-1-yloxy)-2-(cyclopenten-1-yloxymethyl)-4-methylpent-2-enoic acid?
The IUPAC name of 3-(cyclopenten-1-yloxy)-2-(cyclopenten-1-yloxymethyl)-4-methylpent-2-enoic acid (CID 67877980) is 3-(cyclopenten-1-yloxy)-2-(cyclopenten-1-yloxymethyl)-4-methylpent-2-enoic acid.
What is the SMILES notation for 3-(cyclopenten-1-yloxy)-2-(cyclopenten-1-yloxymethyl)-4-methylpent-2-enoic acid?
The canonical SMILES for 3-(cyclopenten-1-yloxy)-2-(cyclopenten-1-yloxymethyl)-4-methylpent-2-enoic acid is CC(C)C(OC1=CCCC1)=C(COC1=CCCC1)C(=O)O.
What is the InChIKey of 3-(cyclopenten-1-yloxy)-2-(cyclopenten-1-yloxymethyl)-4-methylpent-2-enoic acid?
The InChIKey is LCNLUJUISORRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4/c1-12(2)16(21-14-9-5-6-10-14)15(17(18)19)11-20-13-7-3-4-8-13/h7,9,12H,3-6,8,10-11H2,1-2H3,(H,18,19).
What are the key properties of 3-(cyclopenten-1-yloxy)-2-(cyclopenten-1-yloxymethyl)-4-methylpent-2-enoic acid?
3-(cyclopenten-1-yloxy)-2-(cyclopenten-1-yloxymethyl)-4-methylpent-2-enoic acid has a molecular weight of 292.38 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopenten-1-yloxy)-2-(cyclopenten-1-yloxymethyl)-4-methylpent-2-enoic acid is sourced from PubChem (CID 67877980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).