3-methyl-2-methylideneoxane

C7H12O — CID 20762595

IUPAC3-methyl-2-methylideneoxane
SMILESC=C1OCCCC1C
InChIInChI=1S/C7H12O/c1-6-4-3-5-8-7(6)2/h6H,2-5H2,1H3
InChIKeyDAGPGZFGKGWEOM-UHFFFAOYSA-N
MW112.17 g/mol
LogP1.95
Rot. Bonds

About 3-methyl-2-methylideneoxane

3-methyl-2-methylideneoxane (PubChem CID 20762595) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 3-methyl-2-methylideneoxane.

Molecular Properties

Compound Name3-methyl-2-methylideneoxane
PubChem CID20762595
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name3-methyl-2-methylideneoxane
SMILESC=C1OCCCC1C
InChIInChI=1S/C7H12O/c1-6-4-3-5-8-7(6)2/h6H,2-5H2,1H3
InChIKeyDAGPGZFGKGWEOM-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 3-methyl-2-methylideneoxane?
The IUPAC name of 3-methyl-2-methylideneoxane (CID 20762595) is 3-methyl-2-methylideneoxane.
What is the SMILES notation for 3-methyl-2-methylideneoxane?
The canonical SMILES for 3-methyl-2-methylideneoxane is C=C1OCCCC1C.
What is the InChIKey of 3-methyl-2-methylideneoxane?
The InChIKey is DAGPGZFGKGWEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-6-4-3-5-8-7(6)2/h6H,2-5H2,1H3.
What are the key properties of 3-methyl-2-methylideneoxane?
3-methyl-2-methylideneoxane 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 3-methyl-2-methylideneoxane is sourced from PubChem (CID 20762595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).