(1R,4S,5R)-4,5-bis(methoxymethoxymethyl)cyclopent-2-ene-1-carboxylic acid

C12H20O6 — CID 10730035

IUPAC(1R,4S,5R)-4,5-bis(methoxymethoxymethyl)cyclopent-2-ene-1-carboxylic acid
SMILESCOCOC[C@@H]1[C@@H](COCOC)C=C[C@H]1C(=O)O
InChIInChI=1S/C12H20O6/c1-15-7-17-5-9-3-4-10(12(13)14)11(9)6-18-8-16-2/h3-4,9-11H,5-8H2,1-2H3,(H,13,14)/t9-,10-,11-/m1/s1
InChIKeyMDMVVTMGJHGQED-GMTAPVOTSA-N
MW260.29 g/mol
LogP0.73
Rot. Bonds9

About (1R,4S,5R)-4,5-bis(methoxymethoxymethyl)cyclopent-2-ene-1-carboxylic acid

(1R,4S,5R)-4,5-bis(methoxymethoxymethyl)cyclopent-2-ene-1-carboxylic acid (PubChem CID 10730035) has the molecular formula C12H20O6 and a molecular weight of 260.29 g/mol. Its IUPAC name is (1R,4S,5R)-4,5-bis(methoxymethoxymethyl)cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name(1R,4S,5R)-4,5-bis(methoxymethoxymethyl)cyclopent-2-ene-1-carboxylic acid
PubChem CID10730035
Molecular FormulaC12H20O6
Molecular Weight260.29 g/mol
Exact Mass260.13
IUPAC Name(1R,4S,5R)-4,5-bis(methoxymethoxymethyl)cyclopent-2-ene-1-carboxylic acid
SMILESCOCOC[C@@H]1[C@@H](COCOC)C=C[C@H]1C(=O)O
InChIInChI=1S/C12H20O6/c1-15-7-17-5-9-3-4-10(12(13)14)11(9)6-18-8-16-2/h3-4,9-11H,5-8H2,1-2H3,(H,13,14)/t9-,10-,11-/m1/s1
InChIKeyMDMVVTMGJHGQED-GMTAPVOTSA-N
XLogP0.73
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1R,4S,5R)-4,5-bis(methoxymethoxymethyl)cyclopent-2-ene-1-carboxylic 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

(E)-2-[(E)-but-1-enyl]-3-(oxan-2-yloxymethyl)hept-4-enoic acid
CID 139691192
[(1S,4R)-4-(acetyloxymethyl)-5-(methoxymethoxymethyl)cyclopent-2-en-1-yl]methyl acetate
CID 10517313
[(1R,4S,5R)-4-(hydroxymethyl)-5-(methoxymethoxymethyl)cyclopent-2-en-1-yl]methyl acetate
CID 10562251
(1R,4S,5R)-4,5-bis(methoxymethoxymethyl)cyclopent-2-ene-1-carbaldehyde
CID 10728978
[(1R,4S,5R)-4,5-bis(methoxymethoxymethyl)cyclopent-2-en-1-yl]methyl acetate
CID 10732086

Frequently Asked Questions

What is the IUPAC name of (1R,4S,5R)-4,5-bis(methoxymethoxymethyl)cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of (1R,4S,5R)-4,5-bis(methoxymethoxymethyl)cyclopent-2-ene-1-carboxylic acid (CID 10730035) is (1R,4S,5R)-4,5-bis(methoxymethoxymethyl)cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for (1R,4S,5R)-4,5-bis(methoxymethoxymethyl)cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for (1R,4S,5R)-4,5-bis(methoxymethoxymethyl)cyclopent-2-ene-1-carboxylic acid is COCOC[C@@H]1[C@@H](COCOC)C=C[C@H]1C(=O)O.
What is the InChIKey of (1R,4S,5R)-4,5-bis(methoxymethoxymethyl)cyclopent-2-ene-1-carboxylic acid?
The InChIKey is MDMVVTMGJHGQED-GMTAPVOTSA-N. The full InChI is InChI=1S/C12H20O6/c1-15-7-17-5-9-3-4-10(12(13)14)11(9)6-18-8-16-2/h3-4,9-11H,5-8H2,1-2H3,(H,13,14)/t9-,10-,11-/m1/s1.
What are the key properties of (1R,4S,5R)-4,5-bis(methoxymethoxymethyl)cyclopent-2-ene-1-carboxylic acid?
(1R,4S,5R)-4,5-bis(methoxymethoxymethyl)cyclopent-2-ene-1-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 0.73, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,5R)-4,5-bis(methoxymethoxymethyl)cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 10730035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).