2-methyl-4-methylidene-3-propyloxolane

C9H16O — CID 89264759

IUPAC2-methyl-4-methylidene-3-propyloxolane
SMILESC=C1COC(C)C1CCC
InChIInChI=1S/C9H16O/c1-4-5-9-7(2)6-10-8(9)3/h8-9H,2,4-6H2,1,3H3
InChIKeyWFTUHYYQOJSIHZ-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.38
Rot. Bonds2

About 2-methyl-4-methylidene-3-propyloxolane

2-methyl-4-methylidene-3-propyloxolane (PubChem CID 89264759) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-methyl-4-methylidene-3-propyloxolane.

Molecular Properties

Compound Name2-methyl-4-methylidene-3-propyloxolane
PubChem CID89264759
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name2-methyl-4-methylidene-3-propyloxolane
SMILESC=C1COC(C)C1CCC
InChIInChI=1S/C9H16O/c1-4-5-9-7(2)6-10-8(9)3/h8-9H,2,4-6H2,1,3H3
InChIKeyWFTUHYYQOJSIHZ-UHFFFAOYSA-N
XLogP2.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-methyl-4-methylidene-3-propyloxolane?
The IUPAC name of 2-methyl-4-methylidene-3-propyloxolane (CID 89264759) is 2-methyl-4-methylidene-3-propyloxolane.
What is the SMILES notation for 2-methyl-4-methylidene-3-propyloxolane?
The canonical SMILES for 2-methyl-4-methylidene-3-propyloxolane is C=C1COC(C)C1CCC.
What is the InChIKey of 2-methyl-4-methylidene-3-propyloxolane?
The InChIKey is WFTUHYYQOJSIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-4-5-9-7(2)6-10-8(9)3/h8-9H,2,4-6H2,1,3H3.
What are the key properties of 2-methyl-4-methylidene-3-propyloxolane?
2-methyl-4-methylidene-3-propyloxolane has a molecular weight of 140.23 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-methylidene-3-propyloxolane is sourced from PubChem (CID 89264759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).