3,3-di(propan-2-yl)-1,5-dioxaspiro[5.5]undecane

C15H28O2 — CID 134878867

IUPAC3,3-di(propan-2-yl)-1,5-dioxaspiro[5.5]undecane
SMILESCC(C)C1(C(C)C)COC2(CCCCC2)OC1
InChIInChI=1S/C15H28O2/c1-12(2)14(13(3)4)10-16-15(17-11-14)8-6-5-7-9-15/h12-13H,5-11H2,1-4H3
InChIKeyKNVSLZVNHUALCQ-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.99
Rot. Bonds2

About 3,3-di(propan-2-yl)-1,5-dioxaspiro[5.5]undecane

3,3-di(propan-2-yl)-1,5-dioxaspiro[5.5]undecane (PubChem CID 134878867) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 3,3-di(propan-2-yl)-1,5-dioxaspiro[5.5]undecane.

Molecular Properties

Compound Name3,3-di(propan-2-yl)-1,5-dioxaspiro[5.5]undecane
PubChem CID134878867
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name3,3-di(propan-2-yl)-1,5-dioxaspiro[5.5]undecane
SMILESCC(C)C1(C(C)C)COC2(CCCCC2)OC1
InChIInChI=1S/C15H28O2/c1-12(2)14(13(3)4)10-16-15(17-11-14)8-6-5-7-9-15/h12-13H,5-11H2,1-4H3
InChIKeyKNVSLZVNHUALCQ-UHFFFAOYSA-N
XLogP3.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-di(propan-2-yl)-1,5-dioxaspiro[5.5]undecane?
The IUPAC name of 3,3-di(propan-2-yl)-1,5-dioxaspiro[5.5]undecane (CID 134878867) is 3,3-di(propan-2-yl)-1,5-dioxaspiro[5.5]undecane.
What is the SMILES notation for 3,3-di(propan-2-yl)-1,5-dioxaspiro[5.5]undecane?
The canonical SMILES for 3,3-di(propan-2-yl)-1,5-dioxaspiro[5.5]undecane is CC(C)C1(C(C)C)COC2(CCCCC2)OC1.
What is the InChIKey of 3,3-di(propan-2-yl)-1,5-dioxaspiro[5.5]undecane?
The InChIKey is KNVSLZVNHUALCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-12(2)14(13(3)4)10-16-15(17-11-14)8-6-5-7-9-15/h12-13H,5-11H2,1-4H3.
What are the key properties of 3,3-di(propan-2-yl)-1,5-dioxaspiro[5.5]undecane?
3,3-di(propan-2-yl)-1,5-dioxaspiro[5.5]undecane has a molecular weight of 240.39 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-di(propan-2-yl)-1,5-dioxaspiro[5.5]undecane is sourced from PubChem (CID 134878867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).