2-(3-methylpenta-2,4-dienoxy)oxane

C11H18O2 — CID 54496034

IUPAC2-(3-methylpenta-2,4-dienoxy)oxane
SMILESC=CC(C)=CCOC1CCCCO1
InChIInChI=1S/C11H18O2/c1-3-10(2)7-9-13-11-6-4-5-8-12-11/h3,7,11H,1,4-6,8-9H2,2H3
InChIKeyXZEIXMSKRUMBNQ-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.66
Rot. Bonds4

About 2-(3-methylpenta-2,4-dienoxy)oxane

2-(3-methylpenta-2,4-dienoxy)oxane (PubChem CID 54496034) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-(3-methylpenta-2,4-dienoxy)oxane.

Molecular Properties

Compound Name2-(3-methylpenta-2,4-dienoxy)oxane
PubChem CID54496034
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-(3-methylpenta-2,4-dienoxy)oxane
SMILESC=CC(C)=CCOC1CCCCO1
InChIInChI=1S/C11H18O2/c1-3-10(2)7-9-13-11-6-4-5-8-12-11/h3,7,11H,1,4-6,8-9H2,2H3
InChIKeyXZEIXMSKRUMBNQ-UHFFFAOYSA-N
XLogP2.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3-methylpenta-2,4-dienoxy)oxane 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-methylpenta-2,4-dienoxy)oxane?
The IUPAC name of 2-(3-methylpenta-2,4-dienoxy)oxane (CID 54496034) is 2-(3-methylpenta-2,4-dienoxy)oxane.
What is the SMILES notation for 2-(3-methylpenta-2,4-dienoxy)oxane?
The canonical SMILES for 2-(3-methylpenta-2,4-dienoxy)oxane is C=CC(C)=CCOC1CCCCO1.
What is the InChIKey of 2-(3-methylpenta-2,4-dienoxy)oxane?
The InChIKey is XZEIXMSKRUMBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-10(2)7-9-13-11-6-4-5-8-12-11/h3,7,11H,1,4-6,8-9H2,2H3.
What are the key properties of 2-(3-methylpenta-2,4-dienoxy)oxane?
2-(3-methylpenta-2,4-dienoxy)oxane has a molecular weight of 182.26 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpenta-2,4-dienoxy)oxane is sourced from PubChem (CID 54496034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).