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

C10H18O2 — CID 150963563

IUPAC2-[2-(3-methylbut-1-enoxy)ethyl]oxetane
SMILESCC(C)C=COCCC1CCO1
InChIInChI=1S/C10H18O2/c1-9(2)3-6-11-7-4-10-5-8-12-10/h3,6,9-10H,4-5,7-8H2,1-2H3
InChIKeyLMPIAWSXMOYBEJ-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.35
Rot. Bonds5

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

2-[2-(3-methylbut-1-enoxy)ethyl]oxetane (PubChem CID 150963563) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-[2-(3-methylbut-1-enoxy)ethyl]oxetane.

Molecular Properties

Compound Name2-[2-(3-methylbut-1-enoxy)ethyl]oxetane
PubChem CID150963563
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-[2-(3-methylbut-1-enoxy)ethyl]oxetane
SMILESCC(C)C=COCCC1CCO1
InChIInChI=1S/C10H18O2/c1-9(2)3-6-11-7-4-10-5-8-12-10/h3,6,9-10H,4-5,7-8H2,1-2H3
InChIKeyLMPIAWSXMOYBEJ-UHFFFAOYSA-N
XLogP2.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.35
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

2-(2-Prop-1-enoxyethyl)oxetane
CID 141062647
2-[2-(3-Methylpent-1-enoxy)ethyl]oxetane
CID 149875936
2-[2-(2-Methylprop-1-enoxy)ethyl]oxetane
CID 150089785
2-(2-But-1-enoxyethyl)oxetane
CID 152637654
(E)-6-(2-methylpropoxy)-1-propan-2-yloxyhex-1-ene
CID 169994815

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylbut-1-enoxy)ethyl]oxetane?
The IUPAC name of 2-[2-(3-methylbut-1-enoxy)ethyl]oxetane (CID 150963563) is 2-[2-(3-methylbut-1-enoxy)ethyl]oxetane.
What is the SMILES notation for 2-[2-(3-methylbut-1-enoxy)ethyl]oxetane?
The canonical SMILES for 2-[2-(3-methylbut-1-enoxy)ethyl]oxetane is CC(C)C=COCCC1CCO1.
What is the InChIKey of 2-[2-(3-methylbut-1-enoxy)ethyl]oxetane?
The InChIKey is LMPIAWSXMOYBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-9(2)3-6-11-7-4-10-5-8-12-10/h3,6,9-10H,4-5,7-8H2,1-2H3.
What are the key properties of 2-[2-(3-methylbut-1-enoxy)ethyl]oxetane?
2-[2-(3-methylbut-1-enoxy)ethyl]oxetane has a molecular weight of 170.25 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylbut-1-enoxy)ethyl]oxetane is sourced from PubChem (CID 150963563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).