3,4-dimethylideneoxolane

C6H8O — CID 12607503

IUPAC3,4-dimethylideneoxolane
SMILESC=C1COCC1=C
InChIInChI=1S/C6H8O/c1-5-3-7-4-6(5)2/h1-4H2
InChIKeyXLJZGUAKXOLESQ-UHFFFAOYSA-N
MW96.13 g/mol
LogP1.13
Rot. Bonds

About 3,4-dimethylideneoxolane

3,4-dimethylideneoxolane (PubChem CID 12607503) has the molecular formula C6H8O and a molecular weight of 96.13 g/mol. Its IUPAC name is 3,4-dimethylideneoxolane.

Molecular Properties

Compound Name3,4-dimethylideneoxolane
PubChem CID12607503
Molecular FormulaC6H8O
Molecular Weight96.13 g/mol
Exact Mass96.06
IUPAC Name3,4-dimethylideneoxolane
SMILESC=C1COCC1=C
InChIInChI=1S/C6H8O/c1-5-3-7-4-6(5)2/h1-4H2
InChIKeyXLJZGUAKXOLESQ-UHFFFAOYSA-N
XLogP1.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylideneoxolane?
The IUPAC name of 3,4-dimethylideneoxolane (CID 12607503) is 3,4-dimethylideneoxolane.
What is the SMILES notation for 3,4-dimethylideneoxolane?
The canonical SMILES for 3,4-dimethylideneoxolane is C=C1COCC1=C.
What is the InChIKey of 3,4-dimethylideneoxolane?
The InChIKey is XLJZGUAKXOLESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O/c1-5-3-7-4-6(5)2/h1-4H2.
What are the key properties of 3,4-dimethylideneoxolane?
3,4-dimethylideneoxolane has a molecular weight of 96.13 g/mol, XLogP of 1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylideneoxolane is sourced from PubChem (CID 12607503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).