3,4-di(propan-2-yl)-2,7-dioxaspiro[4.4]nonane

C13H24O2 — CID 172612818

IUPAC3,4-di(propan-2-yl)-2,7-dioxaspiro[4.4]nonane
SMILESCC(C)C1OCC2(CCOC2)C1C(C)C
InChIInChI=1S/C13H24O2/c1-9(2)11-12(10(3)4)15-8-13(11)5-6-14-7-13/h9-12H,5-8H2,1-4H3
InChIKeyOMVIZKOPIULRQE-UHFFFAOYSA-N
MW212.33 g/mol
LogP2.72
Rot. Bonds2

About 3,4-di(propan-2-yl)-2,7-dioxaspiro[4.4]nonane

3,4-di(propan-2-yl)-2,7-dioxaspiro[4.4]nonane (PubChem CID 172612818) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 3,4-di(propan-2-yl)-2,7-dioxaspiro[4.4]nonane.

Molecular Properties

Compound Name3,4-di(propan-2-yl)-2,7-dioxaspiro[4.4]nonane
PubChem CID172612818
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name3,4-di(propan-2-yl)-2,7-dioxaspiro[4.4]nonane
SMILESCC(C)C1OCC2(CCOC2)C1C(C)C
InChIInChI=1S/C13H24O2/c1-9(2)11-12(10(3)4)15-8-13(11)5-6-14-7-13/h9-12H,5-8H2,1-4H3
InChIKeyOMVIZKOPIULRQE-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-di(propan-2-yl)-2,7-dioxaspiro[4.4]nonane?
The IUPAC name of 3,4-di(propan-2-yl)-2,7-dioxaspiro[4.4]nonane (CID 172612818) is 3,4-di(propan-2-yl)-2,7-dioxaspiro[4.4]nonane.
What is the SMILES notation for 3,4-di(propan-2-yl)-2,7-dioxaspiro[4.4]nonane?
The canonical SMILES for 3,4-di(propan-2-yl)-2,7-dioxaspiro[4.4]nonane is CC(C)C1OCC2(CCOC2)C1C(C)C.
What is the InChIKey of 3,4-di(propan-2-yl)-2,7-dioxaspiro[4.4]nonane?
The InChIKey is OMVIZKOPIULRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-9(2)11-12(10(3)4)15-8-13(11)5-6-14-7-13/h9-12H,5-8H2,1-4H3.
What are the key properties of 3,4-di(propan-2-yl)-2,7-dioxaspiro[4.4]nonane?
3,4-di(propan-2-yl)-2,7-dioxaspiro[4.4]nonane has a molecular weight of 212.33 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-di(propan-2-yl)-2,7-dioxaspiro[4.4]nonane is sourced from PubChem (CID 172612818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).