8-methyl-2-propyl-1,7-dioxaspiro[5.5]undecane

C13H24O2 — CID 14271034

IUPAC8-methyl-2-propyl-1,7-dioxaspiro[5.5]undecane
SMILESCCCC1CCCC2(CCCC(C)O2)O1
InChIInChI=1S/C13H24O2/c1-3-6-12-8-5-10-13(15-12)9-4-7-11(2)14-13/h11-12H,3-10H2,1-2H3
InChIKeyQXUAOIHBLJZVTQ-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.64
Rot. Bonds2

About 8-methyl-2-propyl-1,7-dioxaspiro[5.5]undecane

8-methyl-2-propyl-1,7-dioxaspiro[5.5]undecane (PubChem CID 14271034) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 8-methyl-2-propyl-1,7-dioxaspiro[5.5]undecane.

Molecular Properties

Compound Name8-methyl-2-propyl-1,7-dioxaspiro[5.5]undecane
PubChem CID14271034
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name8-methyl-2-propyl-1,7-dioxaspiro[5.5]undecane
SMILESCCCC1CCCC2(CCCC(C)O2)O1
InChIInChI=1S/C13H24O2/c1-3-6-12-8-5-10-13(15-12)9-4-7-11(2)14-13/h11-12H,3-10H2,1-2H3
InChIKeyQXUAOIHBLJZVTQ-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-propyl-1,7-dioxaspiro[5.5]undecane?
The IUPAC name of 8-methyl-2-propyl-1,7-dioxaspiro[5.5]undecane (CID 14271034) is 8-methyl-2-propyl-1,7-dioxaspiro[5.5]undecane.
What is the SMILES notation for 8-methyl-2-propyl-1,7-dioxaspiro[5.5]undecane?
The canonical SMILES for 8-methyl-2-propyl-1,7-dioxaspiro[5.5]undecane is CCCC1CCCC2(CCCC(C)O2)O1.
What is the InChIKey of 8-methyl-2-propyl-1,7-dioxaspiro[5.5]undecane?
The InChIKey is QXUAOIHBLJZVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-3-6-12-8-5-10-13(15-12)9-4-7-11(2)14-13/h11-12H,3-10H2,1-2H3.
What are the key properties of 8-methyl-2-propyl-1,7-dioxaspiro[5.5]undecane?
8-methyl-2-propyl-1,7-dioxaspiro[5.5]undecane has a molecular weight of 212.33 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-propyl-1,7-dioxaspiro[5.5]undecane is sourced from PubChem (CID 14271034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).