2-methyl-5-(prop-2-enoxymethyl)oxolane

C9H16O2 — CID 171807573

IUPAC2-methyl-5-(prop-2-enoxymethyl)oxolane
SMILESC=CCOCC1CCC(C)O1
InChIInChI=1S/C9H16O2/c1-3-6-10-7-9-5-4-8(2)11-9/h3,8-9H,1,4-7H2,2H3
InChIKeyFOGZFZKOBCVYLU-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.76
Rot. Bonds4

About 2-methyl-5-(prop-2-enoxymethyl)oxolane

2-methyl-5-(prop-2-enoxymethyl)oxolane (PubChem CID 171807573) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-methyl-5-(prop-2-enoxymethyl)oxolane.

Molecular Properties

Compound Name2-methyl-5-(prop-2-enoxymethyl)oxolane
PubChem CID171807573
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-methyl-5-(prop-2-enoxymethyl)oxolane
SMILESC=CCOCC1CCC(C)O1
InChIInChI=1S/C9H16O2/c1-3-6-10-7-9-5-4-8(2)11-9/h3,8-9H,1,4-7H2,2H3
InChIKeyFOGZFZKOBCVYLU-UHFFFAOYSA-N
XLogP1.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(prop-2-enoxymethyl)oxolane?
The IUPAC name of 2-methyl-5-(prop-2-enoxymethyl)oxolane (CID 171807573) is 2-methyl-5-(prop-2-enoxymethyl)oxolane.
What is the SMILES notation for 2-methyl-5-(prop-2-enoxymethyl)oxolane?
The canonical SMILES for 2-methyl-5-(prop-2-enoxymethyl)oxolane is C=CCOCC1CCC(C)O1.
What is the InChIKey of 2-methyl-5-(prop-2-enoxymethyl)oxolane?
The InChIKey is FOGZFZKOBCVYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-6-10-7-9-5-4-8(2)11-9/h3,8-9H,1,4-7H2,2H3.
What are the key properties of 2-methyl-5-(prop-2-enoxymethyl)oxolane?
2-methyl-5-(prop-2-enoxymethyl)oxolane has a molecular weight of 156.22 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(prop-2-enoxymethyl)oxolane is sourced from PubChem (CID 171807573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).