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

C11H20O2 — CID 176603913

IUPAC2-[3-(2-methylprop-1-enoxy)propyl]oxolane
SMILESCC(C)=COCCCC1CCCO1
InChIInChI=1S/C11H20O2/c1-10(2)9-12-7-3-5-11-6-4-8-13-11/h9,11H,3-8H2,1-2H3
InChIKeyYVZJDQMBORUFAR-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.89
Rot. Bonds5

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

2-[3-(2-methylprop-1-enoxy)propyl]oxolane (PubChem CID 176603913) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-[3-(2-methylprop-1-enoxy)propyl]oxolane.

Molecular Properties

Compound Name2-[3-(2-methylprop-1-enoxy)propyl]oxolane
PubChem CID176603913
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-[3-(2-methylprop-1-enoxy)propyl]oxolane
SMILESCC(C)=COCCCC1CCCO1
InChIInChI=1S/C11H20O2/c1-10(2)9-12-7-3-5-11-6-4-8-13-11/h9,11H,3-8H2,1-2H3
InChIKeyYVZJDQMBORUFAR-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
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-[3-[(E)-prop-1-enoxy]propyl]oxolane
CID 176603037
2-[3-(2-Methylprop-1-enoxy)propyl]oxocane
CID 176603288
2-[3-(2-Methylprop-1-enoxy)propyl]oxane
CID 176603337
2-[3-(Cyclohexylidenemethoxy)propyl]oxolane
CID 176603711
2-Ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxolane
CID 176604262
2-[3-(Cyclopentylidenemethoxy)propyl]oxolane
CID 176604433
2-[2-(2-Methylprop-1-enoxy)ethyl]oxane
CID 176605169
2-[2-(2-Methylprop-1-enoxy)ethyl]oxolane
CID 176605254
2-[(E)-3-methoxy-2-methylprop-2-enyl]oxolane
CID 10678486
2-[(E)-3-ethoxy-2-methylprop-2-enyl]oxolane
CID 10821052

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylprop-1-enoxy)propyl]oxolane?
The IUPAC name of 2-[3-(2-methylprop-1-enoxy)propyl]oxolane (CID 176603913) is 2-[3-(2-methylprop-1-enoxy)propyl]oxolane.
What is the SMILES notation for 2-[3-(2-methylprop-1-enoxy)propyl]oxolane?
The canonical SMILES for 2-[3-(2-methylprop-1-enoxy)propyl]oxolane is CC(C)=COCCCC1CCCO1.
What is the InChIKey of 2-[3-(2-methylprop-1-enoxy)propyl]oxolane?
The InChIKey is YVZJDQMBORUFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-10(2)9-12-7-3-5-11-6-4-8-13-11/h9,11H,3-8H2,1-2H3.
What are the key properties of 2-[3-(2-methylprop-1-enoxy)propyl]oxolane?
2-[3-(2-methylprop-1-enoxy)propyl]oxolane has a molecular weight of 184.28 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylprop-1-enoxy)propyl]oxolane is sourced from PubChem (CID 176603913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).