2,3-dimethyl-5-methylideneoxolane

C7H12O — CID 67949105

IUPAC2,3-dimethyl-5-methylideneoxolane
SMILESC=C1CC(C)C(C)O1
InChIInChI=1S/C7H12O/c1-5-4-6(2)8-7(5)3/h5,7H,2,4H2,1,3H3
InChIKeyFCIUOOPPSMCUSI-UHFFFAOYSA-N
MW112.17 g/mol
LogP1.95
Rot. Bonds

About 2,3-dimethyl-5-methylideneoxolane

2,3-dimethyl-5-methylideneoxolane (PubChem CID 67949105) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 2,3-dimethyl-5-methylideneoxolane.

Molecular Properties

Compound Name2,3-dimethyl-5-methylideneoxolane
PubChem CID67949105
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name2,3-dimethyl-5-methylideneoxolane
SMILESC=C1CC(C)C(C)O1
InChIInChI=1S/C7H12O/c1-5-4-6(2)8-7(5)3/h5,7H,2,4H2,1,3H3
InChIKeyFCIUOOPPSMCUSI-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-methylideneoxolane?
The IUPAC name of 2,3-dimethyl-5-methylideneoxolane (CID 67949105) is 2,3-dimethyl-5-methylideneoxolane.
What is the SMILES notation for 2,3-dimethyl-5-methylideneoxolane?
The canonical SMILES for 2,3-dimethyl-5-methylideneoxolane is C=C1CC(C)C(C)O1.
What is the InChIKey of 2,3-dimethyl-5-methylideneoxolane?
The InChIKey is FCIUOOPPSMCUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-5-4-6(2)8-7(5)3/h5,7H,2,4H2,1,3H3.
What are the key properties of 2,3-dimethyl-5-methylideneoxolane?
2,3-dimethyl-5-methylideneoxolane has a molecular weight of 112.17 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-methylideneoxolane is sourced from PubChem (CID 67949105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).