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

C11H20O2 — CID 176604361

IUPAC3-[3-(2-methylprop-1-enoxy)propyl]oxolane
SMILESCC(C)=COCCCC1CCOC1
InChIInChI=1S/C11H20O2/c1-10(2)8-12-6-3-4-11-5-7-13-9-11/h8,11H,3-7,9H2,1-2H3
InChIKeyJHBPSPTYDXCUBN-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.74
Rot. Bonds5

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

3-[3-(2-methylprop-1-enoxy)propyl]oxolane (PubChem CID 176604361) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-[3-(2-methylprop-1-enoxy)propyl]oxolane.

Molecular Properties

Compound Name3-[3-(2-methylprop-1-enoxy)propyl]oxolane
PubChem CID176604361
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name3-[3-(2-methylprop-1-enoxy)propyl]oxolane
SMILESCC(C)=COCCCC1CCOC1
InChIInChI=1S/C11H20O2/c1-10(2)8-12-6-3-4-11-5-7-13-9-11/h8,11H,3-7,9H2,1-2H3
InChIKeyJHBPSPTYDXCUBN-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-Methyl-1,5-bis(2-methylprop-1-enoxy)pentane
CID 87658121
3,5-Bis(2-methylprop-1-enoxymethyl)heptane
CID 87658169
4-[3-(2-Methylprop-1-enoxy)propyl]oxane
CID 176603549
3-[2-(2-Methylprop-1-enoxy)ethyl]oxolane
CID 176603768
2-Ethyl-2-(2-methylprop-1-enoxymethyl)oxolane
CID 176604121
3-Ethyl-3-[3-(2-methylprop-1-enoxy)propyl]oxolane
CID 176604233
3-[3-(Cyclopentylidenemethoxy)propyl]oxolane
CID 176604301
2-Methyl-2-[2-(2-methylprop-1-enoxy)ethyl]oxolane
CID 176604411
3-[3-(2-Methylprop-1-enoxy)propyl]oxane
CID 176604413
3-[3-(Cyclohexylidenemethoxy)propyl]oxolane
CID 176604799
3-ethyl-3-[3-[(E)-prop-1-enoxy]propyl]oxolane
CID 176605133
3-(3-Ethenoxypropyl)oxolane
CID 176605175

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methylprop-1-enoxy)propyl]oxolane?
The IUPAC name of 3-[3-(2-methylprop-1-enoxy)propyl]oxolane (CID 176604361) is 3-[3-(2-methylprop-1-enoxy)propyl]oxolane.
What is the SMILES notation for 3-[3-(2-methylprop-1-enoxy)propyl]oxolane?
The canonical SMILES for 3-[3-(2-methylprop-1-enoxy)propyl]oxolane is CC(C)=COCCCC1CCOC1.
What is the InChIKey of 3-[3-(2-methylprop-1-enoxy)propyl]oxolane?
The InChIKey is JHBPSPTYDXCUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-10(2)8-12-6-3-4-11-5-7-13-9-11/h8,11H,3-7,9H2,1-2H3.
What are the key properties of 3-[3-(2-methylprop-1-enoxy)propyl]oxolane?
3-[3-(2-methylprop-1-enoxy)propyl]oxolane 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-[3-(2-methylprop-1-enoxy)propyl]oxolane is sourced from PubChem (CID 176604361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).