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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Related Compounds

9,9-dimethyl-1,4-dioxa-7-azaspiro[4.4]nonane
CID 19106856
13,13-dimethyl-4,9,12-trioxadispiro[4.2.48.25]tetradec-2-ene
CID 162442245
4a,8a-dimethyl-2,3,6,7-tetrahydro-[1,4]dioxino[2,3-b][1,4]dioxine
CID 11137610
6,6,9,9-tetramethyl-1,4-dioxaspiro[4.5]decan-7-one
CID 146082096
12,12-dimethyl-7,10-dioxadispiro[2.2.46.23]dodecane
CID 175914993
6,6-dimethyl-1,4-dioxaspiro[4.6]undecane-9,10-dione
CID 91493617
6-methyl-6-[(E)-prop-1-enyl]-1,4,8,11-tetraoxadispiro[4.1.47.35]tetradecane
CID 11436734
3-benzyl-13,13-dimethyl-4,9,12-trioxadispiro[4.2.48.25]tetradec-2-ene
CID 162441922
2,2-dimethyl-1,3-dioxolane;ethane;propane
CID 143842052
(7R)-6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-ol
CID 135272503
1',5',5'-trimethylspiro[1,3-dioxolane-2,2'-bicyclo[5.1.0]octane]
CID 130022319
2,2-dimethyl-1,3-dioxolane;1,3-dioxolane
CID 158752243

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).