2-(3-methylidenepenta-1,4-dienoxymethyl)oxirane

C9H12O2 — CID 57219910

IUPAC2-(3-methylidenepenta-1,4-dienoxymethyl)oxirane
SMILESC=CC(=C)C=COCC1CO1
InChIInChI=1S/C9H12O2/c1-3-8(2)4-5-10-6-9-7-11-9/h3-5,9H,1-2,6-7H2
InChIKeyQQWXXUIFXSZZLR-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.66
Rot. Bonds5

About 2-(3-methylidenepenta-1,4-dienoxymethyl)oxirane

2-(3-methylidenepenta-1,4-dienoxymethyl)oxirane (PubChem CID 57219910) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 2-(3-methylidenepenta-1,4-dienoxymethyl)oxirane.

Molecular Properties

Compound Name2-(3-methylidenepenta-1,4-dienoxymethyl)oxirane
PubChem CID57219910
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name2-(3-methylidenepenta-1,4-dienoxymethyl)oxirane
SMILESC=CC(=C)C=COCC1CO1
InChIInChI=1S/C9H12O2/c1-3-8(2)4-5-10-6-9-7-11-9/h3-5,9H,1-2,6-7H2
InChIKeyQQWXXUIFXSZZLR-UHFFFAOYSA-N
XLogP1.66
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3-methylidenepenta-1,4-dienoxymethyl)oxirane 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 2-(3-methylidenepenta-1,4-dienoxymethyl)oxirane?
The IUPAC name of 2-(3-methylidenepenta-1,4-dienoxymethyl)oxirane (CID 57219910) is 2-(3-methylidenepenta-1,4-dienoxymethyl)oxirane.
What is the SMILES notation for 2-(3-methylidenepenta-1,4-dienoxymethyl)oxirane?
The canonical SMILES for 2-(3-methylidenepenta-1,4-dienoxymethyl)oxirane is C=CC(=C)C=COCC1CO1.
What is the InChIKey of 2-(3-methylidenepenta-1,4-dienoxymethyl)oxirane?
The InChIKey is QQWXXUIFXSZZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-3-8(2)4-5-10-6-9-7-11-9/h3-5,9H,1-2,6-7H2.
What are the key properties of 2-(3-methylidenepenta-1,4-dienoxymethyl)oxirane?
2-(3-methylidenepenta-1,4-dienoxymethyl)oxirane has a molecular weight of 152.19 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylidenepenta-1,4-dienoxymethyl)oxirane is sourced from PubChem (CID 57219910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).