3-[(E)-5-[2,4-bis(methoxymethoxy)phenyl]-3-methylpent-3-enyl]-2,2-dimethyloxirane

C20H30O5 — CID 102590625

IUPAC3-[(E)-5-[2,4-bis(methoxymethoxy)phenyl]-3-methylpent-3-enyl]-2,2-dimethyloxirane
SMILESCOCOc1ccc(C/C=C(\C)CCC2OC2(C)C)c(OCOC)c1
InChIInChI=1S/C20H30O5/c1-15(7-11-19-20(2,3)25-19)6-8-16-9-10-17(23-13-21-4)12-18(16)24-14-22-5/h6,9-10,12,19H,7-8,11,13-14H2,1-5H3/b15-6+
InChIKeyWRPZBPDPHZKMEG-GIDUJCDVSA-N
MW350.46 g/mol
LogP4.10
Rot. Bonds11

About 3-[(E)-5-[2,4-bis(methoxymethoxy)phenyl]-3-methylpent-3-enyl]-2,2-dimethyloxirane

3-[(E)-5-[2,4-bis(methoxymethoxy)phenyl]-3-methylpent-3-enyl]-2,2-dimethyloxirane (PubChem CID 102590625) has the molecular formula C20H30O5 and a molecular weight of 350.46 g/mol. Its IUPAC name is 3-[(E)-5-[2,4-bis(methoxymethoxy)phenyl]-3-methylpent-3-enyl]-2,2-dimethyloxirane.

Molecular Properties

Compound Name3-[(E)-5-[2,4-bis(methoxymethoxy)phenyl]-3-methylpent-3-enyl]-2,2-dimethyloxirane
PubChem CID102590625
Molecular FormulaC20H30O5
Molecular Weight350.46 g/mol
Exact Mass350.21
IUPAC Name3-[(E)-5-[2,4-bis(methoxymethoxy)phenyl]-3-methylpent-3-enyl]-2,2-dimethyloxirane
SMILESCOCOc1ccc(C/C=C(\C)CCC2OC2(C)C)c(OCOC)c1
InChIInChI=1S/C20H30O5/c1-15(7-11-19-20(2,3)25-19)6-8-16-9-10-17(23-13-21-4)12-18(16)24-14-22-5/h6,9-10,12,19H,7-8,11,13-14H2,1-5H3/b15-6+
InChIKeyWRPZBPDPHZKMEG-GIDUJCDVSA-N
XLogP4.10
TPSA49.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[(E)-5-[2,4-bis(methoxymethoxy)phenyl]-3-methylpent-3-enyl]-2,2-dimethyloxirane 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-[(E)-5-[2,4-bis(methoxymethoxy)phenyl]-3-methylpent-3-enyl]-2,2-dimethyloxirane?
The IUPAC name of 3-[(E)-5-[2,4-bis(methoxymethoxy)phenyl]-3-methylpent-3-enyl]-2,2-dimethyloxirane (CID 102590625) is 3-[(E)-5-[2,4-bis(methoxymethoxy)phenyl]-3-methylpent-3-enyl]-2,2-dimethyloxirane.
What is the SMILES notation for 3-[(E)-5-[2,4-bis(methoxymethoxy)phenyl]-3-methylpent-3-enyl]-2,2-dimethyloxirane?
The canonical SMILES for 3-[(E)-5-[2,4-bis(methoxymethoxy)phenyl]-3-methylpent-3-enyl]-2,2-dimethyloxirane is COCOc1ccc(C/C=C(\C)CCC2OC2(C)C)c(OCOC)c1.
What is the InChIKey of 3-[(E)-5-[2,4-bis(methoxymethoxy)phenyl]-3-methylpent-3-enyl]-2,2-dimethyloxirane?
The InChIKey is WRPZBPDPHZKMEG-GIDUJCDVSA-N. The full InChI is InChI=1S/C20H30O5/c1-15(7-11-19-20(2,3)25-19)6-8-16-9-10-17(23-13-21-4)12-18(16)24-14-22-5/h6,9-10,12,19H,7-8,11,13-14H2,1-5H3/b15-6+.
What are the key properties of 3-[(E)-5-[2,4-bis(methoxymethoxy)phenyl]-3-methylpent-3-enyl]-2,2-dimethyloxirane?
3-[(E)-5-[2,4-bis(methoxymethoxy)phenyl]-3-methylpent-3-enyl]-2,2-dimethyloxirane has a molecular weight of 350.46 g/mol, XLogP of 4.10, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-5-[2,4-bis(methoxymethoxy)phenyl]-3-methylpent-3-enyl]-2,2-dimethyloxirane is sourced from PubChem (CID 102590625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).