3-ethyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane

C11H20O2 — CID 150120426

IUPAC3-ethyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane
SMILESCCC1(CCOC=C(C)C)COC1
InChIInChI=1S/C11H20O2/c1-4-11(8-13-9-11)5-6-12-7-10(2)3/h7H,4-6,8-9H2,1-3H3
InChIKeyDZDDIKORPWHUDN-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.74
Rot. Bonds5

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

3-ethyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane (PubChem CID 150120426) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-ethyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane.

Molecular Properties

Compound Name3-ethyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane
PubChem CID150120426
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name3-ethyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane
SMILESCCC1(CCOC=C(C)C)COC1
InChIInChI=1S/C11H20O2/c1-4-11(8-13-9-11)5-6-12-7-10(2)3/h7H,4-6,8-9H2,1-3H3
InChIKeyDZDDIKORPWHUDN-UHFFFAOYSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.74
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-Ethyl-3-(2-methylprop-1-enoxymethyl)oxetane
CID 85666305
3,3-Bis(2-methylprop-1-enoxymethyl)pentane
CID 87658857
3-(2-Ethenoxyethyl)-3-ethyloxetane
CID 141483491
3-Ethyl-3-(2-prop-1-enoxyethyl)oxetane
CID 149734533
2-Methyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane
CID 151531127
3-Methyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane
CID 152097728
3-(2-But-2-en-2-yloxyethyl)-3-ethyloxetane
CID 152658174
4-Ethyl-4-(2-methylprop-1-enoxymethyl)oxane
CID 176602969
3-Ethyl-3-(2-methylprop-1-enoxymethyl)oxolane
CID 176603588
3-Ethyl-3-[3-(2-methylprop-1-enoxy)propyl]oxetane
CID 176604781
4-Methyl-4-(2-methylprop-1-enoxymethyl)oxane
CID 176605019

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane?
The IUPAC name of 3-ethyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane (CID 150120426) is 3-ethyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane.
What is the SMILES notation for 3-ethyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane?
The canonical SMILES for 3-ethyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane is CCC1(CCOC=C(C)C)COC1.
What is the InChIKey of 3-ethyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane?
The InChIKey is DZDDIKORPWHUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-11(8-13-9-11)5-6-12-7-10(2)3/h7H,4-6,8-9H2,1-3H3.
What are the key properties of 3-ethyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane?
3-ethyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane has a molecular weight of 184.28 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane is sourced from PubChem (CID 150120426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).