5-methyl-6-methylidene-4,7-dioxaspiro[2.4]heptane

C7H10O2 — CID 134879710

IUPAC5-methyl-6-methylidene-4,7-dioxaspiro[2.4]heptane
SMILESC=C1OC2(CC2)OC1C
InChIInChI=1S/C7H10O2/c1-5-6(2)9-7(8-5)3-4-7/h6H,1,3-4H2,2H3
InChIKeyYTXGGGVKRQPKRP-UHFFFAOYSA-N
MW126.15 g/mol
LogP1.43
Rot. Bonds

About 5-methyl-6-methylidene-4,7-dioxaspiro[2.4]heptane

5-methyl-6-methylidene-4,7-dioxaspiro[2.4]heptane (PubChem CID 134879710) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 5-methyl-6-methylidene-4,7-dioxaspiro[2.4]heptane.

Molecular Properties

Compound Name5-methyl-6-methylidene-4,7-dioxaspiro[2.4]heptane
PubChem CID134879710
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name5-methyl-6-methylidene-4,7-dioxaspiro[2.4]heptane
SMILESC=C1OC2(CC2)OC1C
InChIInChI=1S/C7H10O2/c1-5-6(2)9-7(8-5)3-4-7/h6H,1,3-4H2,2H3
InChIKeyYTXGGGVKRQPKRP-UHFFFAOYSA-N
XLogP1.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-methylidene-4,7-dioxaspiro[2.4]heptane?
The IUPAC name of 5-methyl-6-methylidene-4,7-dioxaspiro[2.4]heptane (CID 134879710) is 5-methyl-6-methylidene-4,7-dioxaspiro[2.4]heptane.
What is the SMILES notation for 5-methyl-6-methylidene-4,7-dioxaspiro[2.4]heptane?
The canonical SMILES for 5-methyl-6-methylidene-4,7-dioxaspiro[2.4]heptane is C=C1OC2(CC2)OC1C.
What is the InChIKey of 5-methyl-6-methylidene-4,7-dioxaspiro[2.4]heptane?
The InChIKey is YTXGGGVKRQPKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-5-6(2)9-7(8-5)3-4-7/h6H,1,3-4H2,2H3.
What are the key properties of 5-methyl-6-methylidene-4,7-dioxaspiro[2.4]heptane?
5-methyl-6-methylidene-4,7-dioxaspiro[2.4]heptane has a molecular weight of 126.15 g/mol, XLogP of 1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-methylidene-4,7-dioxaspiro[2.4]heptane is sourced from PubChem (CID 134879710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).