3,3,9,9-tetramethyl-2,8-dioxaspiro[5.5]undecane

C13H24O2 — CID 101413103

IUPAC3,3,9,9-tetramethyl-2,8-dioxaspiro[5.5]undecane
SMILESCC1(C)CCC2(CCC(C)(C)OC2)CO1
InChIInChI=1S/C13H24O2/c1-11(2)5-7-13(9-14-11)8-6-12(3,4)15-10-13/h5-10H2,1-4H3
InChIKeyXDVQFHHTYLZMIA-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.15
Rot. Bonds

About 3,3,9,9-tetramethyl-2,8-dioxaspiro[5.5]undecane

3,3,9,9-tetramethyl-2,8-dioxaspiro[5.5]undecane (PubChem CID 101413103) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 3,3,9,9-tetramethyl-2,8-dioxaspiro[5.5]undecane.

Molecular Properties

Compound Name3,3,9,9-tetramethyl-2,8-dioxaspiro[5.5]undecane
PubChem CID101413103
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name3,3,9,9-tetramethyl-2,8-dioxaspiro[5.5]undecane
SMILESCC1(C)CCC2(CCC(C)(C)OC2)CO1
InChIInChI=1S/C13H24O2/c1-11(2)5-7-13(9-14-11)8-6-12(3,4)15-10-13/h5-10H2,1-4H3
InChIKeyXDVQFHHTYLZMIA-UHFFFAOYSA-N
XLogP3.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Oxan-3-yl)oxane
CID 53698622
3-(Oxan-2-yl)-2-propan-2-yloxane
CID 59163186
(3S,5S)-4-methoxy-2-(2-methoxy-3,3-dimethylbutyl)-3,5-dimethyloxane
CID 59958290
(4S,5R)-2-ethyl-5-(methoxymethyl)-2,4,5-trimethyloxan-4-ol
CID 67891277
(2R,5R)-2-ethyl-5-(methoxymethyl)-2,5-dimethyloxane
CID 70332512
(5R)-2-ethyl-5-(methoxymethyl)-2,5-dimethyloxane
CID 70332513
3,9-Dimethyl-3,9-bis(2-methylpropyl)-2,4,8-trioxaspiro[5.5]undecane
CID 70943616
2-Methyl-3-[1-(2-methyloxan-3-yl)ethyl]oxane
CID 71100810
2-Methyl-3-[1-(2-methyloxan-3-yl)propyl]oxane
CID 71100926
3-[1-(2,5-Dimethyloxan-3-yl)-2,2-dimethylpropyl]-2,5-dimethyloxane
CID 71100929
2,2,5-Trimethyl-3-[(2,2,5-trimethyloxan-3-yl)methyl]oxane
CID 71100930
3-[(2,2-Dimethyloxan-3-yl)methyl]-2,2-dimethyloxane
CID 71100932

Frequently Asked Questions

What is the IUPAC name of 3,3,9,9-tetramethyl-2,8-dioxaspiro[5.5]undecane?
The IUPAC name of 3,3,9,9-tetramethyl-2,8-dioxaspiro[5.5]undecane (CID 101413103) is 3,3,9,9-tetramethyl-2,8-dioxaspiro[5.5]undecane.
What is the SMILES notation for 3,3,9,9-tetramethyl-2,8-dioxaspiro[5.5]undecane?
The canonical SMILES for 3,3,9,9-tetramethyl-2,8-dioxaspiro[5.5]undecane is CC1(C)CCC2(CCC(C)(C)OC2)CO1.
What is the InChIKey of 3,3,9,9-tetramethyl-2,8-dioxaspiro[5.5]undecane?
The InChIKey is XDVQFHHTYLZMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-11(2)5-7-13(9-14-11)8-6-12(3,4)15-10-13/h5-10H2,1-4H3.
What are the key properties of 3,3,9,9-tetramethyl-2,8-dioxaspiro[5.5]undecane?
3,3,9,9-tetramethyl-2,8-dioxaspiro[5.5]undecane has a molecular weight of 212.33 g/mol, XLogP of 3.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,9,9-tetramethyl-2,8-dioxaspiro[5.5]undecane is sourced from PubChem (CID 101413103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).