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

C10H18O2 — CID 176605254

IUPAC2-[2-(2-methylprop-1-enoxy)ethyl]oxolane
SMILESCC(C)=COCCC1CCCO1
InChIInChI=1S/C10H18O2/c1-9(2)8-11-7-5-10-4-3-6-12-10/h8,10H,3-7H2,1-2H3
InChIKeyACWSAPDNDHXEFD-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.50
Rot. Bonds4

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

2-[2-(2-methylprop-1-enoxy)ethyl]oxolane (PubChem CID 176605254) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-[2-(2-methylprop-1-enoxy)ethyl]oxolane.

Molecular Properties

Compound Name2-[2-(2-methylprop-1-enoxy)ethyl]oxolane
PubChem CID176605254
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-[2-(2-methylprop-1-enoxy)ethyl]oxolane
SMILESCC(C)=COCCC1CCCO1
InChIInChI=1S/C10H18O2/c1-9(2)8-11-7-5-10-4-3-6-12-10/h8,10H,3-7H2,1-2H3
InChIKeyACWSAPDNDHXEFD-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylprop-1-enoxy)ethyl]oxolane?
The IUPAC name of 2-[2-(2-methylprop-1-enoxy)ethyl]oxolane (CID 176605254) is 2-[2-(2-methylprop-1-enoxy)ethyl]oxolane.
What is the SMILES notation for 2-[2-(2-methylprop-1-enoxy)ethyl]oxolane?
The canonical SMILES for 2-[2-(2-methylprop-1-enoxy)ethyl]oxolane is CC(C)=COCCC1CCCO1.
What is the InChIKey of 2-[2-(2-methylprop-1-enoxy)ethyl]oxolane?
The InChIKey is ACWSAPDNDHXEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-9(2)8-11-7-5-10-4-3-6-12-10/h8,10H,3-7H2,1-2H3.
What are the key properties of 2-[2-(2-methylprop-1-enoxy)ethyl]oxolane?
2-[2-(2-methylprop-1-enoxy)ethyl]oxolane has a molecular weight of 170.25 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylprop-1-enoxy)ethyl]oxolane is sourced from PubChem (CID 176605254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).