2-methoxy-2-prop-2-enyloxolane

C8H14O2 — CID 174997546

IUPAC2-methoxy-2-prop-2-enyloxolane
SMILESC=CCC1(OC)CCCO1
InChIInChI=1S/C8H14O2/c1-3-5-8(9-2)6-4-7-10-8/h3H,1,4-7H2,2H3
InChIKeyFRKSSADMOOJOKA-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.72
Rot. Bonds3

About 2-methoxy-2-prop-2-enyloxolane

2-methoxy-2-prop-2-enyloxolane (PubChem CID 174997546) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-methoxy-2-prop-2-enyloxolane.

Molecular Properties

Compound Name2-methoxy-2-prop-2-enyloxolane
PubChem CID174997546
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2-methoxy-2-prop-2-enyloxolane
SMILESC=CCC1(OC)CCCO1
InChIInChI=1S/C8H14O2/c1-3-5-8(9-2)6-4-7-10-8/h3H,1,4-7H2,2H3
InChIKeyFRKSSADMOOJOKA-UHFFFAOYSA-N
XLogP1.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-prop-2-enyloxolane?
The IUPAC name of 2-methoxy-2-prop-2-enyloxolane (CID 174997546) is 2-methoxy-2-prop-2-enyloxolane.
What is the SMILES notation for 2-methoxy-2-prop-2-enyloxolane?
The canonical SMILES for 2-methoxy-2-prop-2-enyloxolane is C=CCC1(OC)CCCO1.
What is the InChIKey of 2-methoxy-2-prop-2-enyloxolane?
The InChIKey is FRKSSADMOOJOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-3-5-8(9-2)6-4-7-10-8/h3H,1,4-7H2,2H3.
What are the key properties of 2-methoxy-2-prop-2-enyloxolane?
2-methoxy-2-prop-2-enyloxolane has a molecular weight of 142.20 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-prop-2-enyloxolane is sourced from PubChem (CID 174997546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).