1,2-dimethyl-4,7-dioxaspiro[2.4]heptane

C7H12O2 — CID 58529547

IUPAC1,2-dimethyl-4,7-dioxaspiro[2.4]heptane
SMILESCC1C(C)C12OCCO2
InChIInChI=1S/C7H12O2/c1-5-6(2)7(5)8-3-4-9-7/h5-6H,3-4H2,1-2H3
InChIKeyXDQOIQLZDVXPDP-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.02
Rot. Bonds

About 1,2-dimethyl-4,7-dioxaspiro[2.4]heptane

1,2-dimethyl-4,7-dioxaspiro[2.4]heptane (PubChem CID 58529547) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 1,2-dimethyl-4,7-dioxaspiro[2.4]heptane.

Molecular Properties

Compound Name1,2-dimethyl-4,7-dioxaspiro[2.4]heptane
PubChem CID58529547
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name1,2-dimethyl-4,7-dioxaspiro[2.4]heptane
SMILESCC1C(C)C12OCCO2
InChIInChI=1S/C7H12O2/c1-5-6(2)7(5)8-3-4-9-7/h5-6H,3-4H2,1-2H3
InChIKeyXDQOIQLZDVXPDP-UHFFFAOYSA-N
XLogP1.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4,7-dioxaspiro[2.4]heptane?
The IUPAC name of 1,2-dimethyl-4,7-dioxaspiro[2.4]heptane (CID 58529547) is 1,2-dimethyl-4,7-dioxaspiro[2.4]heptane.
What is the SMILES notation for 1,2-dimethyl-4,7-dioxaspiro[2.4]heptane?
The canonical SMILES for 1,2-dimethyl-4,7-dioxaspiro[2.4]heptane is CC1C(C)C12OCCO2.
What is the InChIKey of 1,2-dimethyl-4,7-dioxaspiro[2.4]heptane?
The InChIKey is XDQOIQLZDVXPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-5-6(2)7(5)8-3-4-9-7/h5-6H,3-4H2,1-2H3.
What are the key properties of 1,2-dimethyl-4,7-dioxaspiro[2.4]heptane?
1,2-dimethyl-4,7-dioxaspiro[2.4]heptane has a molecular weight of 128.17 g/mol, XLogP of 1.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4,7-dioxaspiro[2.4]heptane is sourced from PubChem (CID 58529547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).