5,5-dimethyl-2,4-dioxaspiro[5.5]undecane

C11H20O2 — CID 159577595

IUPAC5,5-dimethyl-2,4-dioxaspiro[5.5]undecane
SMILESCC1(C)OCOCC12CCCCC2
InChIInChI=1S/C11H20O2/c1-10(2)11(8-12-9-13-10)6-4-3-5-7-11/h3-9H2,1-2H3
InChIKeySIOKIZMWRGZAJW-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.72
Rot. Bonds

About 5,5-dimethyl-2,4-dioxaspiro[5.5]undecane

5,5-dimethyl-2,4-dioxaspiro[5.5]undecane (PubChem CID 159577595) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 5,5-dimethyl-2,4-dioxaspiro[5.5]undecane.

Molecular Properties

Compound Name5,5-dimethyl-2,4-dioxaspiro[5.5]undecane
PubChem CID159577595
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name5,5-dimethyl-2,4-dioxaspiro[5.5]undecane
SMILESCC1(C)OCOCC12CCCCC2
InChIInChI=1S/C11H20O2/c1-10(2)11(8-12-9-13-10)6-4-3-5-7-11/h3-9H2,1-2H3
InChIKeySIOKIZMWRGZAJW-UHFFFAOYSA-N
XLogP2.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2,4-dioxaspiro[5.5]undecane?
The IUPAC name of 5,5-dimethyl-2,4-dioxaspiro[5.5]undecane (CID 159577595) is 5,5-dimethyl-2,4-dioxaspiro[5.5]undecane.
What is the SMILES notation for 5,5-dimethyl-2,4-dioxaspiro[5.5]undecane?
The canonical SMILES for 5,5-dimethyl-2,4-dioxaspiro[5.5]undecane is CC1(C)OCOCC12CCCCC2.
What is the InChIKey of 5,5-dimethyl-2,4-dioxaspiro[5.5]undecane?
The InChIKey is SIOKIZMWRGZAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-10(2)11(8-12-9-13-10)6-4-3-5-7-11/h3-9H2,1-2H3.
What are the key properties of 5,5-dimethyl-2,4-dioxaspiro[5.5]undecane?
5,5-dimethyl-2,4-dioxaspiro[5.5]undecane has a molecular weight of 184.28 g/mol, XLogP of 2.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2,4-dioxaspiro[5.5]undecane is sourced from PubChem (CID 159577595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).