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

C10H18O2 — CID 176603225

IUPAC3-[3-(2-methylprop-1-enoxy)propyl]oxetane
SMILESCC(C)=COCCCC1COC1
InChIInChI=1S/C10H18O2/c1-9(2)6-11-5-3-4-10-7-12-8-10/h6,10H,3-5,7-8H2,1-2H3
InChIKeyLHLWMDWBNTWBTJ-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.35
Rot. Bonds5

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

3-[3-(2-methylprop-1-enoxy)propyl]oxetane (PubChem CID 176603225) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3-[3-(2-methylprop-1-enoxy)propyl]oxetane.

Molecular Properties

Compound Name3-[3-(2-methylprop-1-enoxy)propyl]oxetane
PubChem CID176603225
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3-[3-(2-methylprop-1-enoxy)propyl]oxetane
SMILESCC(C)=COCCCC1COC1
InChIInChI=1S/C10H18O2/c1-9(2)6-11-5-3-4-10-7-12-8-10/h6,10H,3-5,7-8H2,1-2H3
InChIKeyLHLWMDWBNTWBTJ-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

4-Methyl-1-(2-methylprop-1-enoxy)pentane
CID 22234807
3-Methyl-1,5-bis(2-methylprop-1-enoxy)pentane
CID 87658121
1,5-Bis(2-methylprop-1-enoxy)pentane
CID 87660189
3-Methyl-2-[2-(2-methylprop-1-enoxy)ethyl]oxetane
CID 150247617
3-[3-(Cyclopentylidenemethoxy)propyl]oxetane
CID 176603959
3-[3-[(E)-prop-1-enoxy]propyl]oxetane
CID 176603963
3-Ethyl-3-[3-(2-methylprop-1-enoxy)propyl]oxetane
CID 176604781
3-(2-Methylprop-1-enoxymethyl)oxane
CID 176605197

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methylprop-1-enoxy)propyl]oxetane?
The IUPAC name of 3-[3-(2-methylprop-1-enoxy)propyl]oxetane (CID 176603225) is 3-[3-(2-methylprop-1-enoxy)propyl]oxetane.
What is the SMILES notation for 3-[3-(2-methylprop-1-enoxy)propyl]oxetane?
The canonical SMILES for 3-[3-(2-methylprop-1-enoxy)propyl]oxetane is CC(C)=COCCCC1COC1.
What is the InChIKey of 3-[3-(2-methylprop-1-enoxy)propyl]oxetane?
The InChIKey is LHLWMDWBNTWBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-9(2)6-11-5-3-4-10-7-12-8-10/h6,10H,3-5,7-8H2,1-2H3.
What are the key properties of 3-[3-(2-methylprop-1-enoxy)propyl]oxetane?
3-[3-(2-methylprop-1-enoxy)propyl]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 3-[3-(2-methylprop-1-enoxy)propyl]oxetane is sourced from PubChem (CID 176603225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).