4-methyl-2,3-dimethylideneoxane

C8H12O — CID 89252301

IUPAC4-methyl-2,3-dimethylideneoxane
SMILESC=C1OCCC(C)C1=C
InChIInChI=1S/C8H12O/c1-6-4-5-9-8(3)7(6)2/h6H,2-5H2,1H3
InChIKeyQEBSUXQWEFBHCI-UHFFFAOYSA-N
MW124.18 g/mol
LogP2.11
Rot. Bonds

About 4-methyl-2,3-dimethylideneoxane

4-methyl-2,3-dimethylideneoxane (PubChem CID 89252301) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 4-methyl-2,3-dimethylideneoxane.

Molecular Properties

Compound Name4-methyl-2,3-dimethylideneoxane
PubChem CID89252301
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name4-methyl-2,3-dimethylideneoxane
SMILESC=C1OCCC(C)C1=C
InChIInChI=1S/C8H12O/c1-6-4-5-9-8(3)7(6)2/h6H,2-5H2,1H3
InChIKeyQEBSUXQWEFBHCI-UHFFFAOYSA-N
XLogP2.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,3-dimethylideneoxane?
The IUPAC name of 4-methyl-2,3-dimethylideneoxane (CID 89252301) is 4-methyl-2,3-dimethylideneoxane.
What is the SMILES notation for 4-methyl-2,3-dimethylideneoxane?
The canonical SMILES for 4-methyl-2,3-dimethylideneoxane is C=C1OCCC(C)C1=C.
What is the InChIKey of 4-methyl-2,3-dimethylideneoxane?
The InChIKey is QEBSUXQWEFBHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-6-4-5-9-8(3)7(6)2/h6H,2-5H2,1H3.
What are the key properties of 4-methyl-2,3-dimethylideneoxane?
4-methyl-2,3-dimethylideneoxane has a molecular weight of 124.18 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,3-dimethylideneoxane is sourced from PubChem (CID 89252301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).