2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxolane

C13H24O2 — CID 176604262

IUPAC2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxolane
SMILESCCC1(CCCOC=C(C)C)CCCO1
InChIInChI=1S/C13H24O2/c1-4-13(8-6-10-15-13)7-5-9-14-11-12(2)3/h11H,4-10H2,1-3H3
InChIKeyDSPODILMIAWVLW-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.67
Rot. Bonds6

About 2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxolane

2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxolane (PubChem CID 176604262) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxolane.

Molecular Properties

Compound Name2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxolane
PubChem CID176604262
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxolane
SMILESCCC1(CCCOC=C(C)C)CCCO1
InChIInChI=1S/C13H24O2/c1-4-13(8-6-10-15-13)7-5-9-14-11-12(2)3/h11H,4-10H2,1-3H3
InChIKeyDSPODILMIAWVLW-UHFFFAOYSA-N
XLogP3.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxolane 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

2-Ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxane
CID 176603700
2-[3-(2-Methylprop-1-enoxy)propyl]oxolane
CID 176603913
2-(3-Ethenoxypropyl)-2-ethyloxolane
CID 176603924
2-Methyl-2-[2-(2-methylprop-1-enoxy)ethyl]oxolane
CID 176604411
2-[3-(Cyclopentylidenemethoxy)propyl]-2-ethyloxolane
CID 176604620
2-[3-(Cyclohexylidenemethoxy)propyl]-2-ethyloxolane
CID 176604907
2-Ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxocane
CID 176605253
2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]oxolane
CID 176605332

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxolane?
The IUPAC name of 2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxolane (CID 176604262) is 2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxolane.
What is the SMILES notation for 2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxolane?
The canonical SMILES for 2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxolane is CCC1(CCCOC=C(C)C)CCCO1.
What is the InChIKey of 2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxolane?
The InChIKey is DSPODILMIAWVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-4-13(8-6-10-15-13)7-5-9-14-11-12(2)3/h11H,4-10H2,1-3H3.
What are the key properties of 2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxolane?
2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxolane has a molecular weight of 212.33 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxolane is sourced from PubChem (CID 176604262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).