2-methyl-4-[2-(2-methylprop-1-enoxy)ethyl]oxetane

C10H18O2 — CID 152601068

IUPAC2-methyl-4-[2-(2-methylprop-1-enoxy)ethyl]oxetane
SMILESCC(C)=COCCC1CC(C)O1
InChIInChI=1S/C10H18O2/c1-8(2)7-11-5-4-10-6-9(3)12-10/h7,9-10H,4-6H2,1-3H3
InChIKeyYXNSPWSJLGBLLU-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.49
Rot. Bonds4

About 2-methyl-4-[2-(2-methylprop-1-enoxy)ethyl]oxetane

2-methyl-4-[2-(2-methylprop-1-enoxy)ethyl]oxetane (PubChem CID 152601068) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-methyl-4-[2-(2-methylprop-1-enoxy)ethyl]oxetane.

Molecular Properties

Compound Name2-methyl-4-[2-(2-methylprop-1-enoxy)ethyl]oxetane
PubChem CID152601068
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-methyl-4-[2-(2-methylprop-1-enoxy)ethyl]oxetane
SMILESCC(C)=COCCC1CC(C)O1
InChIInChI=1S/C10H18O2/c1-8(2)7-11-5-4-10-6-9(3)12-10/h7,9-10H,4-6H2,1-3H3
InChIKeyYXNSPWSJLGBLLU-UHFFFAOYSA-N
XLogP2.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.49
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

5-(2-Methylprop-1-enoxy)-1-[6-(2-methylprop-1-enoxy)hexoxy]hexane
CID 88669267
2-[2-(2-Methylprop-1-enoxy)ethyl]oxetane
CID 150089785
3-Methyl-2-[2-(2-methylprop-1-enoxy)ethyl]oxetane
CID 150247617
2-Ethyl-4-[2-(2-methylprop-1-enoxy)ethyl]oxetane
CID 151197075
3-Ethyl-2-[2-(2-methylprop-1-enoxy)ethyl]oxetane
CID 151866383

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-(2-methylprop-1-enoxy)ethyl]oxetane?
The IUPAC name of 2-methyl-4-[2-(2-methylprop-1-enoxy)ethyl]oxetane (CID 152601068) is 2-methyl-4-[2-(2-methylprop-1-enoxy)ethyl]oxetane.
What is the SMILES notation for 2-methyl-4-[2-(2-methylprop-1-enoxy)ethyl]oxetane?
The canonical SMILES for 2-methyl-4-[2-(2-methylprop-1-enoxy)ethyl]oxetane is CC(C)=COCCC1CC(C)O1.
What is the InChIKey of 2-methyl-4-[2-(2-methylprop-1-enoxy)ethyl]oxetane?
The InChIKey is YXNSPWSJLGBLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-8(2)7-11-5-4-10-6-9(3)12-10/h7,9-10H,4-6H2,1-3H3.
What are the key properties of 2-methyl-4-[2-(2-methylprop-1-enoxy)ethyl]oxetane?
2-methyl-4-[2-(2-methylprop-1-enoxy)ethyl]oxetane has a molecular weight of 170.25 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-(2-methylprop-1-enoxy)ethyl]oxetane is sourced from PubChem (CID 152601068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).