8,8-diethyl-2,2-dimethyl-1,7-dioxaspiro[4.4]nonane

C13H24O2 — CID 11390222

IUPAC8,8-diethyl-2,2-dimethyl-1,7-dioxaspiro[4.4]nonane
SMILESCCC1(CC)CC2(CCC(C)(C)O2)CO1
InChIInChI=1S/C13H24O2/c1-5-12(6-2)9-13(10-14-12)8-7-11(3,4)15-13/h5-10H2,1-4H3
InChIKeyNMBGZUPMCVUWBK-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.29
Rot. Bonds2

About 8,8-diethyl-2,2-dimethyl-1,7-dioxaspiro[4.4]nonane

8,8-diethyl-2,2-dimethyl-1,7-dioxaspiro[4.4]nonane (PubChem CID 11390222) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 8,8-diethyl-2,2-dimethyl-1,7-dioxaspiro[4.4]nonane.

Molecular Properties

Compound Name8,8-diethyl-2,2-dimethyl-1,7-dioxaspiro[4.4]nonane
PubChem CID11390222
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name8,8-diethyl-2,2-dimethyl-1,7-dioxaspiro[4.4]nonane
SMILESCCC1(CC)CC2(CCC(C)(C)O2)CO1
InChIInChI=1S/C13H24O2/c1-5-12(6-2)9-13(10-14-12)8-7-11(3,4)15-13/h5-10H2,1-4H3
InChIKeyNMBGZUPMCVUWBK-UHFFFAOYSA-N
XLogP3.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8,8-Diethyl-1,7-dioxaspiro[4.4]nonane
CID 135011811
3,3,8,8-Tetramethyl-2,7-dioxaspiro[4.4]nonane
CID 15365937
2,5-Dimethyl-2-(2-methyloxolan-2-yl)oxolane
CID 567170
(3R,3aR,6aS)-6-(2,2-dimethylpropyl)-6-fluoro-3-[(2-methylpropan-2-yl)oxy]-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan
CID 141687795
5-Methyl-2-(2-methyl-2-tetrahydrofuryl)tetrahydrofuran
CID 558958
1,13-Dioxadispiro[4.1.57.25]tetradecane
CID 25053686
(7S)-3,7,8-trimethyl-2-oxa-8-oxoniabicyclo[5.2.1]decane
CID 134849322
2,5-Dimethyl-2-(2-tetrahydrofuryl)tetrahydrofuran
CID 567156
2-[(2R,5S)-5-[(2R)-5,5-dimethyloxolan-2-yl]-5-methyloxolan-2-yl]propan-2-ol
CID 11118239
2,2,6,6-Tetraethyl-1,7-dioxaspiro[3.4]octane
CID 11241627
7,16-Dioxatrispiro[5.1.1.510.28.26]nonadecane
CID 11817934
8,8-Diethyl-2,2-dipentyl-1,7-dioxaspiro[4.4]nonane
CID 12181970

Frequently Asked Questions

What is the IUPAC name of 8,8-diethyl-2,2-dimethyl-1,7-dioxaspiro[4.4]nonane?
The IUPAC name of 8,8-diethyl-2,2-dimethyl-1,7-dioxaspiro[4.4]nonane (CID 11390222) is 8,8-diethyl-2,2-dimethyl-1,7-dioxaspiro[4.4]nonane.
What is the SMILES notation for 8,8-diethyl-2,2-dimethyl-1,7-dioxaspiro[4.4]nonane?
The canonical SMILES for 8,8-diethyl-2,2-dimethyl-1,7-dioxaspiro[4.4]nonane is CCC1(CC)CC2(CCC(C)(C)O2)CO1.
What is the InChIKey of 8,8-diethyl-2,2-dimethyl-1,7-dioxaspiro[4.4]nonane?
The InChIKey is NMBGZUPMCVUWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-5-12(6-2)9-13(10-14-12)8-7-11(3,4)15-13/h5-10H2,1-4H3.
What are the key properties of 8,8-diethyl-2,2-dimethyl-1,7-dioxaspiro[4.4]nonane?
8,8-diethyl-2,2-dimethyl-1,7-dioxaspiro[4.4]nonane has a molecular weight of 212.33 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-diethyl-2,2-dimethyl-1,7-dioxaspiro[4.4]nonane is sourced from PubChem (CID 11390222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).