(Z)-5-(2-methylcyclopropyl)-2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoic acid

C13H20O4 — CID 163508371

IUPAC(Z)-5-(2-methylcyclopropyl)-2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoic acid
SMILESCC1CC1/C=C\CC(C(=O)O)C1(C)OCCO1
InChIInChI=1S/C13H20O4/c1-9-8-10(9)4-3-5-11(12(14)15)13(2)16-6-7-17-13/h3-4,9-11H,5-8H2,1-2H3,(H,14,15)/b4-3-
InChIKeyDANUBHUMIPCJKL-ARJAWSKDSA-N
MW240.30 g/mol
LogP2.05
Rot. Bonds5

About (Z)-5-(2-methylcyclopropyl)-2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoic acid

(Z)-5-(2-methylcyclopropyl)-2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoic acid (PubChem CID 163508371) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is (Z)-5-(2-methylcyclopropyl)-2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoic acid.

Molecular Properties

Compound Name(Z)-5-(2-methylcyclopropyl)-2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoic acid
PubChem CID163508371
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name(Z)-5-(2-methylcyclopropyl)-2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoic acid
SMILESCC1CC1/C=C\CC(C(=O)O)C1(C)OCCO1
InChIInChI=1S/C13H20O4/c1-9-8-10(9)4-3-5-11(12(14)15)13(2)16-6-7-17-13/h3-4,9-11H,5-8H2,1-2H3,(H,14,15)/b4-3-
InChIKeyDANUBHUMIPCJKL-ARJAWSKDSA-N
XLogP2.05
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-5-(2-methylcyclopropyl)-2-(2-methyl-1,3-dioxolan-2-yl)pent-4-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

Related Compounds

2-(2-Methyl-1,3-dioxolan-2-yl)pent-4-enoic acid
CID 16724813
Tert-butyl 2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoate
CID 45258311
2-(2-Methyl-1,3-dioxolan-2-yl)but-3-enoic acid
CID 70308921
(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoic acid
CID 150607007
2-[2-[(E)-4-cyclopropylbut-3-enyl]-1,3-dioxolan-2-yl]acetic acid
CID 9991278
2-[2-[(Z)-4-cyclopropylbut-3-enyl]-1,3-dioxolan-2-yl]acetic acid
CID 10466253
Ethyl 2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoate
CID 121222616

Frequently Asked Questions

What is the IUPAC name of (Z)-5-(2-methylcyclopropyl)-2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoic acid?
The IUPAC name of (Z)-5-(2-methylcyclopropyl)-2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoic acid (CID 163508371) is (Z)-5-(2-methylcyclopropyl)-2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoic acid.
What is the SMILES notation for (Z)-5-(2-methylcyclopropyl)-2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoic acid?
The canonical SMILES for (Z)-5-(2-methylcyclopropyl)-2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoic acid is CC1CC1/C=C\CC(C(=O)O)C1(C)OCCO1.
What is the InChIKey of (Z)-5-(2-methylcyclopropyl)-2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoic acid?
The InChIKey is DANUBHUMIPCJKL-ARJAWSKDSA-N. The full InChI is InChI=1S/C13H20O4/c1-9-8-10(9)4-3-5-11(12(14)15)13(2)16-6-7-17-13/h3-4,9-11H,5-8H2,1-2H3,(H,14,15)/b4-3-.
What are the key properties of (Z)-5-(2-methylcyclopropyl)-2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoic acid?
(Z)-5-(2-methylcyclopropyl)-2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoic acid has a molecular weight of 240.30 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-(2-methylcyclopropyl)-2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoic acid is sourced from PubChem (CID 163508371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).