2,7-di(propan-2-yl)-1,6-dioxaspiro[4.4]nonane

C13H24O2 — CID 134997635

IUPAC2,7-di(propan-2-yl)-1,6-dioxaspiro[4.4]nonane
SMILESCC(C)C1CCC2(CCC(C(C)C)O2)O1
InChIInChI=1S/C13H24O2/c1-9(2)11-5-7-13(14-11)8-6-12(15-13)10(3)4/h9-12H,5-8H2,1-4H3
InChIKeyNJVHRALPTKULJS-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.35
Rot. Bonds2

About 2,7-di(propan-2-yl)-1,6-dioxaspiro[4.4]nonane

2,7-di(propan-2-yl)-1,6-dioxaspiro[4.4]nonane (PubChem CID 134997635) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2,7-di(propan-2-yl)-1,6-dioxaspiro[4.4]nonane.

Molecular Properties

Compound Name2,7-di(propan-2-yl)-1,6-dioxaspiro[4.4]nonane
PubChem CID134997635
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2,7-di(propan-2-yl)-1,6-dioxaspiro[4.4]nonane
SMILESCC(C)C1CCC2(CCC(C(C)C)O2)O1
InChIInChI=1S/C13H24O2/c1-9(2)11-5-7-13(14-11)8-6-12(15-13)10(3)4/h9-12H,5-8H2,1-4H3
InChIKeyNJVHRALPTKULJS-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,5-dimethyl-2-propan-2-yloxane;ethane
CID 142101718
2-(2-methyl-5-propan-2-yloxolan-2-yl)acetonitrile
CID 20574261
(2R,5S)-2,5-di(propan-2-yl)oxolane
CID 12641398
(2R,3S)-2,3-di(propan-2-yl)-1,4-dioxaspiro[4.5]decane;methane
CID 162111280
(2R,5R)-7-bromo-2-propan-2-yl-1-oxaspiro[4.5]deca-6,9-dien-8-one
CID 11254253
9-propan-2-yl-1,5-dioxaspiro[5.5]undecane
CID 6455055
1-(5,5-dimethyloxolan-2-yl)-2-methylpropan-1-ol
CID 130146410
2,6-di(propan-2-yl)oxane
CID 58987631
(2'R,8'aR)-4'a,8',8'-trimethyl-2'-propan-2-ylspiro[1,3-dioxolane-2,7'-2,3,4,5,6,8a-hexahydrochromene]
CID 142407594
(3S,5R,7R,10S)-3,10-dimethyl-4,11,12,13-tetraoxadispiro[4.1.47.25]tridecane
CID 11637098
2,3-dimethyl-1,4-dioxaspiro[4.5]decan-8-ol
CID 130145096
(7S,8R)-7,8-di(propan-2-yl)-1,4-dioxaspiro[4.5]decane
CID 121421967

Frequently Asked Questions

What is the IUPAC name of 2,7-di(propan-2-yl)-1,6-dioxaspiro[4.4]nonane?
The IUPAC name of 2,7-di(propan-2-yl)-1,6-dioxaspiro[4.4]nonane (CID 134997635) is 2,7-di(propan-2-yl)-1,6-dioxaspiro[4.4]nonane.
What is the SMILES notation for 2,7-di(propan-2-yl)-1,6-dioxaspiro[4.4]nonane?
The canonical SMILES for 2,7-di(propan-2-yl)-1,6-dioxaspiro[4.4]nonane is CC(C)C1CCC2(CCC(C(C)C)O2)O1.
What is the InChIKey of 2,7-di(propan-2-yl)-1,6-dioxaspiro[4.4]nonane?
The InChIKey is NJVHRALPTKULJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-9(2)11-5-7-13(14-11)8-6-12(15-13)10(3)4/h9-12H,5-8H2,1-4H3.
What are the key properties of 2,7-di(propan-2-yl)-1,6-dioxaspiro[4.4]nonane?
2,7-di(propan-2-yl)-1,6-dioxaspiro[4.4]nonane has a molecular weight of 212.33 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-di(propan-2-yl)-1,6-dioxaspiro[4.4]nonane is sourced from PubChem (CID 134997635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).