3,4-dimethyl-2-methylideneoxolane

C7H12O — CID 20695510

IUPAC3,4-dimethyl-2-methylideneoxolane
SMILESC=C1OCC(C)C1C
InChIInChI=1S/C7H12O/c1-5-4-8-7(3)6(5)2/h5-6H,3-4H2,1-2H3
InChIKeyVLHOERMNZLBKPK-UHFFFAOYSA-N
MW112.17 g/mol
LogP1.80
Rot. Bonds

About 3,4-dimethyl-2-methylideneoxolane

3,4-dimethyl-2-methylideneoxolane (PubChem CID 20695510) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 3,4-dimethyl-2-methylideneoxolane.

Molecular Properties

Compound Name3,4-dimethyl-2-methylideneoxolane
PubChem CID20695510
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name3,4-dimethyl-2-methylideneoxolane
SMILESC=C1OCC(C)C1C
InChIInChI=1S/C7H12O/c1-5-4-8-7(3)6(5)2/h5-6H,3-4H2,1-2H3
InChIKeyVLHOERMNZLBKPK-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-2-methylideneoxolane?
The IUPAC name of 3,4-dimethyl-2-methylideneoxolane (CID 20695510) is 3,4-dimethyl-2-methylideneoxolane.
What is the SMILES notation for 3,4-dimethyl-2-methylideneoxolane?
The canonical SMILES for 3,4-dimethyl-2-methylideneoxolane is C=C1OCC(C)C1C.
What is the InChIKey of 3,4-dimethyl-2-methylideneoxolane?
The InChIKey is VLHOERMNZLBKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-5-4-8-7(3)6(5)2/h5-6H,3-4H2,1-2H3.
What are the key properties of 3,4-dimethyl-2-methylideneoxolane?
3,4-dimethyl-2-methylideneoxolane has a molecular weight of 112.17 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2-methylideneoxolane is sourced from PubChem (CID 20695510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).