2,2,7,7-tetramethyl-1,6-dioxaspiro[4.4]nonane

C11H20O2 — CID 11084545

IUPAC2,2,7,7-tetramethyl-1,6-dioxaspiro[4.4]nonane
SMILESCC1(C)CCC2(CCC(C)(C)O2)O1
InChIInChI=1S/C11H20O2/c1-9(2)5-7-11(12-9)8-6-10(3,4)13-11/h5-8H2,1-4H3
InChIKeyNJYRFKSWBDHCQL-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.86
Rot. Bonds

About 2,2,7,7-tetramethyl-1,6-dioxaspiro[4.4]nonane

2,2,7,7-tetramethyl-1,6-dioxaspiro[4.4]nonane (PubChem CID 11084545) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2,2,7,7-tetramethyl-1,6-dioxaspiro[4.4]nonane.

Molecular Properties

Compound Name2,2,7,7-tetramethyl-1,6-dioxaspiro[4.4]nonane
PubChem CID11084545
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2,2,7,7-tetramethyl-1,6-dioxaspiro[4.4]nonane
SMILESCC1(C)CCC2(CCC(C)(C)O2)O1
InChIInChI=1S/C11H20O2/c1-9(2)5-7-11(12-9)8-6-10(3,4)13-11/h5-8H2,1-4H3
InChIKeyNJYRFKSWBDHCQL-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,7,7-tetramethyl-1,6-dioxaspiro[4.4]nonane?
The IUPAC name of 2,2,7,7-tetramethyl-1,6-dioxaspiro[4.4]nonane (CID 11084545) is 2,2,7,7-tetramethyl-1,6-dioxaspiro[4.4]nonane.
What is the SMILES notation for 2,2,7,7-tetramethyl-1,6-dioxaspiro[4.4]nonane?
The canonical SMILES for 2,2,7,7-tetramethyl-1,6-dioxaspiro[4.4]nonane is CC1(C)CCC2(CCC(C)(C)O2)O1.
What is the InChIKey of 2,2,7,7-tetramethyl-1,6-dioxaspiro[4.4]nonane?
The InChIKey is NJYRFKSWBDHCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-9(2)5-7-11(12-9)8-6-10(3,4)13-11/h5-8H2,1-4H3.
What are the key properties of 2,2,7,7-tetramethyl-1,6-dioxaspiro[4.4]nonane?
2,2,7,7-tetramethyl-1,6-dioxaspiro[4.4]nonane has a molecular weight of 184.28 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,7,7-tetramethyl-1,6-dioxaspiro[4.4]nonane is sourced from PubChem (CID 11084545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).