[(1R,4S,5R)-4,5-bis(methoxymethoxymethyl)cyclopent-2-en-1-yl]methyl acetate

C14H24O6 — CID 10732086

IUPAC[(1R,4S,5R)-4,5-bis(methoxymethoxymethyl)cyclopent-2-en-1-yl]methyl acetate
SMILESCOCOC[C@@H]1[C@@H](COCOC)C=C[C@H]1COC(C)=O
InChIInChI=1S/C14H24O6/c1-11(15)20-7-13-5-4-12(6-18-9-16-2)14(13)8-19-10-17-3/h4-5,12-14H,6-10H2,1-3H3/t12-,13+,14-/m1/s1
InChIKeyDUYAKXWSVYBBPD-HZSPNIEDSA-N
MW288.34 g/mol
LogP1.21
Rot. Bonds10

About [(1R,4S,5R)-4,5-bis(methoxymethoxymethyl)cyclopent-2-en-1-yl]methyl acetate

[(1R,4S,5R)-4,5-bis(methoxymethoxymethyl)cyclopent-2-en-1-yl]methyl acetate (PubChem CID 10732086) has the molecular formula C14H24O6 and a molecular weight of 288.34 g/mol. Its IUPAC name is [(1R,4S,5R)-4,5-bis(methoxymethoxymethyl)cyclopent-2-en-1-yl]methyl acetate.

Molecular Properties

Compound Name[(1R,4S,5R)-4,5-bis(methoxymethoxymethyl)cyclopent-2-en-1-yl]methyl acetate
PubChem CID10732086
Molecular FormulaC14H24O6
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Name[(1R,4S,5R)-4,5-bis(methoxymethoxymethyl)cyclopent-2-en-1-yl]methyl acetate
SMILESCOCOC[C@@H]1[C@@H](COCOC)C=C[C@H]1COC(C)=O
InChIInChI=1S/C14H24O6/c1-11(15)20-7-13-5-4-12(6-18-9-16-2)14(13)8-19-10-17-3/h4-5,12-14H,6-10H2,1-3H3/t12-,13+,14-/m1/s1
InChIKeyDUYAKXWSVYBBPD-HZSPNIEDSA-N
XLogP1.21
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-en-1-yl]methyl acetate 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

[(1S,6R)-6-(dimethoxymethyl)cyclohex-3-en-1-yl]methyl acetate
CID 155929579
(1R,3S,3aR,7aS)-1,3,3a,4,7,7a-hexahydroisobenzofuran-1,3-diyl diacetate
CID 137321647
[3-(Acetyloxymethyl)-2-methylhept-5-enyl] acetate
CID 118470075
(3-Pent-1-enyloxan-2-yl) acetate
CID 140071801
[(1R,6S)-6-(dimethoxymethyl)cyclohex-3-en-1-yl]methyl acetate
CID 156856973
[(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-carboxylic acid
CID 10730035
[(1S,4R,5R,6R)-4-(methoxymethoxymethyl)-6-bicyclo[3.1.0]hex-2-enyl] acetate
CID 177523433

Frequently Asked Questions

What is the IUPAC name of [(1R,4S,5R)-4,5-bis(methoxymethoxymethyl)cyclopent-2-en-1-yl]methyl acetate?
The IUPAC name of [(1R,4S,5R)-4,5-bis(methoxymethoxymethyl)cyclopent-2-en-1-yl]methyl acetate (CID 10732086) is [(1R,4S,5R)-4,5-bis(methoxymethoxymethyl)cyclopent-2-en-1-yl]methyl acetate.
What is the SMILES notation for [(1R,4S,5R)-4,5-bis(methoxymethoxymethyl)cyclopent-2-en-1-yl]methyl acetate?
The canonical SMILES for [(1R,4S,5R)-4,5-bis(methoxymethoxymethyl)cyclopent-2-en-1-yl]methyl acetate is COCOC[C@@H]1[C@@H](COCOC)C=C[C@H]1COC(C)=O.
What is the InChIKey of [(1R,4S,5R)-4,5-bis(methoxymethoxymethyl)cyclopent-2-en-1-yl]methyl acetate?
The InChIKey is DUYAKXWSVYBBPD-HZSPNIEDSA-N. The full InChI is InChI=1S/C14H24O6/c1-11(15)20-7-13-5-4-12(6-18-9-16-2)14(13)8-19-10-17-3/h4-5,12-14H,6-10H2,1-3H3/t12-,13+,14-/m1/s1.
What are the key properties of [(1R,4S,5R)-4,5-bis(methoxymethoxymethyl)cyclopent-2-en-1-yl]methyl acetate?
[(1R,4S,5R)-4,5-bis(methoxymethoxymethyl)cyclopent-2-en-1-yl]methyl acetate has a molecular weight of 288.34 g/mol, XLogP of 1.21, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S,5R)-4,5-bis(methoxymethoxymethyl)cyclopent-2-en-1-yl]methyl acetate is sourced from PubChem (CID 10732086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).