3,3-dimethyl-4-methylideneoxolane

C7H12O — CID 130680402

IUPAC3,3-dimethyl-4-methylideneoxolane
SMILESC=C1COCC1(C)C
InChIInChI=1S/C7H12O/c1-6-4-8-5-7(6,2)3/h1,4-5H2,2-3H3
InChIKeyGKPKQQVCYLPSSV-UHFFFAOYSA-N
MW112.17 g/mol
LogP1.60
Rot. Bonds

About 3,3-dimethyl-4-methylideneoxolane

3,3-dimethyl-4-methylideneoxolane (PubChem CID 130680402) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 3,3-dimethyl-4-methylideneoxolane.

Molecular Properties

Compound Name3,3-dimethyl-4-methylideneoxolane
PubChem CID130680402
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name3,3-dimethyl-4-methylideneoxolane
SMILESC=C1COCC1(C)C
InChIInChI=1S/C7H12O/c1-6-4-8-5-7(6,2)3/h1,4-5H2,2-3H3
InChIKeyGKPKQQVCYLPSSV-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
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 3,3-dimethyl-4-methylideneoxolane?
The IUPAC name of 3,3-dimethyl-4-methylideneoxolane (CID 130680402) is 3,3-dimethyl-4-methylideneoxolane.
What is the SMILES notation for 3,3-dimethyl-4-methylideneoxolane?
The canonical SMILES for 3,3-dimethyl-4-methylideneoxolane is C=C1COCC1(C)C.
What is the InChIKey of 3,3-dimethyl-4-methylideneoxolane?
The InChIKey is GKPKQQVCYLPSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-6-4-8-5-7(6,2)3/h1,4-5H2,2-3H3.
What are the key properties of 3,3-dimethyl-4-methylideneoxolane?
3,3-dimethyl-4-methylideneoxolane has a molecular weight of 112.17 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-methylideneoxolane is sourced from PubChem (CID 130680402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).