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

C13H24O2 — CID 176604233

IUPAC3-ethyl-3-[3-(2-methylprop-1-enoxy)propyl]oxolane
SMILESCCC1(CCCOC=C(C)C)CCOC1
InChIInChI=1S/C13H24O2/c1-4-13(7-9-15-11-13)6-5-8-14-10-12(2)3/h10H,4-9,11H2,1-3H3
InChIKeyPHUXQFNMYHHJGI-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.52
Rot. Bonds6

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

3-ethyl-3-[3-(2-methylprop-1-enoxy)propyl]oxolane (PubChem CID 176604233) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 3-ethyl-3-[3-(2-methylprop-1-enoxy)propyl]oxolane.

Molecular Properties

Compound Name3-ethyl-3-[3-(2-methylprop-1-enoxy)propyl]oxolane
PubChem CID176604233
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name3-ethyl-3-[3-(2-methylprop-1-enoxy)propyl]oxolane
SMILESCCC1(CCCOC=C(C)C)CCOC1
InChIInChI=1S/C13H24O2/c1-4-13(7-9-15-11-13)6-5-8-14-10-12(2)3/h10H,4-9,11H2,1-3H3
InChIKeyPHUXQFNMYHHJGI-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
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'}

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Related Compounds

3-[3-(Cyclohexylidenemethoxy)propyl]-3-ethyloxolane
CID 176603026
3-Methyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxolane
CID 176603506
3-[3-(Cyclopentylidenemethoxy)propyl]-3-ethyloxolane
CID 176603521
3-Ethyl-3-[3-(2-methylprop-1-enoxy)propyl]oxane
CID 176603783
2-Ethyl-2-(2-methylprop-1-enoxymethyl)oxolane
CID 176604121
3-[3-(2-Methylprop-1-enoxy)propyl]oxolane
CID 176604361
3-(3-Ethenoxypropyl)-3-ethyloxolane
CID 176604524
4-Ethyl-4-[3-(2-methylprop-1-enoxy)propyl]oxane
CID 176604638
3-Ethyl-3-[3-(2-methylprop-1-enoxy)propyl]oxetane
CID 176604781
3-ethyl-3-[3-[(E)-prop-1-enoxy]propyl]oxolane
CID 176605133
3-[3-[(E)-prop-1-enoxy]propyl]oxolane
CID 176605243
3-Ethyl-3-(2-methylprop-1-enoxymethyl)oxane
CID 176605354

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[3-(2-methylprop-1-enoxy)propyl]oxolane?
The IUPAC name of 3-ethyl-3-[3-(2-methylprop-1-enoxy)propyl]oxolane (CID 176604233) is 3-ethyl-3-[3-(2-methylprop-1-enoxy)propyl]oxolane.
What is the SMILES notation for 3-ethyl-3-[3-(2-methylprop-1-enoxy)propyl]oxolane?
The canonical SMILES for 3-ethyl-3-[3-(2-methylprop-1-enoxy)propyl]oxolane is CCC1(CCCOC=C(C)C)CCOC1.
What is the InChIKey of 3-ethyl-3-[3-(2-methylprop-1-enoxy)propyl]oxolane?
The InChIKey is PHUXQFNMYHHJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-4-13(7-9-15-11-13)6-5-8-14-10-12(2)3/h10H,4-9,11H2,1-3H3.
What are the key properties of 3-ethyl-3-[3-(2-methylprop-1-enoxy)propyl]oxolane?
3-ethyl-3-[3-(2-methylprop-1-enoxy)propyl]oxolane has a molecular weight of 212.33 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[3-(2-methylprop-1-enoxy)propyl]oxolane is sourced from PubChem (CID 176604233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).