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

C10H18O2 — CID 176604867

IUPAC3-[1-(2-methylprop-1-enoxy)ethyl]oxolane
SMILESCC(C)=COC(C)C1CCOC1
InChIInChI=1S/C10H18O2/c1-8(2)6-12-9(3)10-4-5-11-7-10/h6,9-10H,4-5,7H2,1-3H3
InChIKeyQATSRCAQZPMHDO-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.35
Rot. Bonds3

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

3-[1-(2-methylprop-1-enoxy)ethyl]oxolane (PubChem CID 176604867) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3-[1-(2-methylprop-1-enoxy)ethyl]oxolane.

Molecular Properties

Compound Name3-[1-(2-methylprop-1-enoxy)ethyl]oxolane
PubChem CID176604867
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3-[1-(2-methylprop-1-enoxy)ethyl]oxolane
SMILESCC(C)=COC(C)C1CCOC1
InChIInChI=1S/C10H18O2/c1-8(2)6-12-9(3)10-4-5-11-7-10/h6,9-10H,4-5,7H2,1-3H3
InChIKeyQATSRCAQZPMHDO-UHFFFAOYSA-N
XLogP2.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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'}

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Related Compounds

3-(2-Methylprop-1-enoxymethyl)oxolane
CID 140168911
2-Methyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane
CID 151531127
2-[1-(2-Methylprop-1-enoxy)butan-2-yl]oxirane
CID 151976365
3-[1-(Cyclopentylidenemethoxy)ethyl]oxolane
CID 176603244
3-Ethyl-3-(2-methylprop-1-enoxymethyl)oxolane
CID 176603588
3-(1-Ethenoxyethyl)oxolane
CID 176603704
3-[2-(2-Methylprop-1-enoxy)ethyl]oxolane
CID 176603768
3-[1-[(E)-prop-1-enoxy]ethyl]oxolane
CID 176604277
4-[1-(2-Methylprop-1-enoxy)ethyl]oxane
CID 176604502
3-[1-(Cyclohexylidenemethoxy)ethyl]oxolane
CID 176605004
2-[2-(2-Methylprop-1-enoxy)ethyl]oxolane
CID 176605254

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methylprop-1-enoxy)ethyl]oxolane?
The IUPAC name of 3-[1-(2-methylprop-1-enoxy)ethyl]oxolane (CID 176604867) is 3-[1-(2-methylprop-1-enoxy)ethyl]oxolane.
What is the SMILES notation for 3-[1-(2-methylprop-1-enoxy)ethyl]oxolane?
The canonical SMILES for 3-[1-(2-methylprop-1-enoxy)ethyl]oxolane is CC(C)=COC(C)C1CCOC1.
What is the InChIKey of 3-[1-(2-methylprop-1-enoxy)ethyl]oxolane?
The InChIKey is QATSRCAQZPMHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-8(2)6-12-9(3)10-4-5-11-7-10/h6,9-10H,4-5,7H2,1-3H3.
What are the key properties of 3-[1-(2-methylprop-1-enoxy)ethyl]oxolane?
3-[1-(2-methylprop-1-enoxy)ethyl]oxolane has a molecular weight of 170.25 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methylprop-1-enoxy)ethyl]oxolane is sourced from PubChem (CID 176604867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).