3-methyl-2,5-dimethylideneoxolane

C7H10O — CID 59114704

IUPAC3-methyl-2,5-dimethylideneoxolane
SMILESC=C1CC(C)C(=C)O1
InChIInChI=1S/C7H10O/c1-5-4-6(2)8-7(5)3/h5H,2-4H2,1H3
InChIKeyJDPSJTJGERKJNP-UHFFFAOYSA-N
MW110.16 g/mol
LogP2.07
Rot. Bonds

About 3-methyl-2,5-dimethylideneoxolane

3-methyl-2,5-dimethylideneoxolane (PubChem CID 59114704) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is 3-methyl-2,5-dimethylideneoxolane.

Molecular Properties

Compound Name3-methyl-2,5-dimethylideneoxolane
PubChem CID59114704
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name3-methyl-2,5-dimethylideneoxolane
SMILESC=C1CC(C)C(=C)O1
InChIInChI=1S/C7H10O/c1-5-4-6(2)8-7(5)3/h5H,2-4H2,1H3
InChIKeyJDPSJTJGERKJNP-UHFFFAOYSA-N
XLogP2.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,5-dimethylideneoxolane?
The IUPAC name of 3-methyl-2,5-dimethylideneoxolane (CID 59114704) is 3-methyl-2,5-dimethylideneoxolane.
What is the SMILES notation for 3-methyl-2,5-dimethylideneoxolane?
The canonical SMILES for 3-methyl-2,5-dimethylideneoxolane is C=C1CC(C)C(=C)O1.
What is the InChIKey of 3-methyl-2,5-dimethylideneoxolane?
The InChIKey is JDPSJTJGERKJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O/c1-5-4-6(2)8-7(5)3/h5H,2-4H2,1H3.
What are the key properties of 3-methyl-2,5-dimethylideneoxolane?
3-methyl-2,5-dimethylideneoxolane has a molecular weight of 110.16 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,5-dimethylideneoxolane is sourced from PubChem (CID 59114704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).