2,5-dimethyl-3-methylideneoxolane

C7H12O — CID 123323526

IUPAC2,5-dimethyl-3-methylideneoxolane
SMILESC=C1CC(C)OC1C
InChIInChI=1S/C7H12O/c1-5-4-6(2)8-7(5)3/h6-7H,1,4H2,2-3H3
InChIKeyPIZXKNYYJNLQAL-UHFFFAOYSA-N
MW112.17 g/mol
LogP1.74
Rot. Bonds

About 2,5-dimethyl-3-methylideneoxolane

2,5-dimethyl-3-methylideneoxolane (PubChem CID 123323526) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 2,5-dimethyl-3-methylideneoxolane.

Molecular Properties

Compound Name2,5-dimethyl-3-methylideneoxolane
PubChem CID123323526
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name2,5-dimethyl-3-methylideneoxolane
SMILESC=C1CC(C)OC1C
InChIInChI=1S/C7H12O/c1-5-4-6(2)8-7(5)3/h6-7H,1,4H2,2-3H3
InChIKeyPIZXKNYYJNLQAL-UHFFFAOYSA-N
XLogP1.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.74
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 2,5-dimethyl-3-methylideneoxolane?
The IUPAC name of 2,5-dimethyl-3-methylideneoxolane (CID 123323526) is 2,5-dimethyl-3-methylideneoxolane.
What is the SMILES notation for 2,5-dimethyl-3-methylideneoxolane?
The canonical SMILES for 2,5-dimethyl-3-methylideneoxolane is C=C1CC(C)OC1C.
What is the InChIKey of 2,5-dimethyl-3-methylideneoxolane?
The InChIKey is PIZXKNYYJNLQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-5-4-6(2)8-7(5)3/h6-7H,1,4H2,2-3H3.
What are the key properties of 2,5-dimethyl-3-methylideneoxolane?
2,5-dimethyl-3-methylideneoxolane has a molecular weight of 112.17 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-methylideneoxolane is sourced from PubChem (CID 123323526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).