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

C7H12O2 — CID 131851587

IUPAC2,2-dimethyl-4,7-dioxaspiro[2.4]heptane
SMILESCC1(C)CC12OCCO2
InChIInChI=1S/C7H12O2/c1-6(2)5-7(6)8-3-4-9-7/h3-5H2,1-2H3
InChIKeyHMXDLVKPJUUDMO-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.16
Rot. Bonds

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

2,2-dimethyl-4,7-dioxaspiro[2.4]heptane (PubChem CID 131851587) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 2,2-dimethyl-4,7-dioxaspiro[2.4]heptane.

Molecular Properties

Compound Name2,2-dimethyl-4,7-dioxaspiro[2.4]heptane
PubChem CID131851587
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name2,2-dimethyl-4,7-dioxaspiro[2.4]heptane
SMILESCC1(C)CC12OCCO2
InChIInChI=1S/C7H12O2/c1-6(2)5-7(6)8-3-4-9-7/h3-5H2,1-2H3
InChIKeyHMXDLVKPJUUDMO-UHFFFAOYSA-N
XLogP1.16
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 ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4,7-dioxaspiro[2.4]heptane?
The IUPAC name of 2,2-dimethyl-4,7-dioxaspiro[2.4]heptane (CID 131851587) is 2,2-dimethyl-4,7-dioxaspiro[2.4]heptane.
What is the SMILES notation for 2,2-dimethyl-4,7-dioxaspiro[2.4]heptane?
The canonical SMILES for 2,2-dimethyl-4,7-dioxaspiro[2.4]heptane is CC1(C)CC12OCCO2.
What is the InChIKey of 2,2-dimethyl-4,7-dioxaspiro[2.4]heptane?
The InChIKey is HMXDLVKPJUUDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-6(2)5-7(6)8-3-4-9-7/h3-5H2,1-2H3.
What are the key properties of 2,2-dimethyl-4,7-dioxaspiro[2.4]heptane?
2,2-dimethyl-4,7-dioxaspiro[2.4]heptane has a molecular weight of 128.17 g/mol, XLogP of 1.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4,7-dioxaspiro[2.4]heptane is sourced from PubChem (CID 131851587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).