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

C12H22O2 — CID 14271012

IUPAC2-ethyl-8-methyl-1,7-dioxaspiro[5.5]undecane
SMILESCCC1CCCC2(CCCC(C)O2)O1
InChIInChI=1S/C12H22O2/c1-3-11-7-5-9-12(14-11)8-4-6-10(2)13-12/h10-11H,3-9H2,1-2H3
InChIKeyICQGEBLJYVWKBA-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.25
Rot. Bonds1

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

2-ethyl-8-methyl-1,7-dioxaspiro[5.5]undecane (PubChem CID 14271012) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-ethyl-8-methyl-1,7-dioxaspiro[5.5]undecane.

Molecular Properties

Compound Name2-ethyl-8-methyl-1,7-dioxaspiro[5.5]undecane
PubChem CID14271012
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name2-ethyl-8-methyl-1,7-dioxaspiro[5.5]undecane
SMILESCCC1CCCC2(CCCC(C)O2)O1
InChIInChI=1S/C12H22O2/c1-3-11-7-5-9-12(14-11)8-4-6-10(2)13-12/h10-11H,3-9H2,1-2H3
InChIKeyICQGEBLJYVWKBA-UHFFFAOYSA-N
XLogP3.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-8-methyl-1,7-dioxaspiro[5.5]undecane?
The IUPAC name of 2-ethyl-8-methyl-1,7-dioxaspiro[5.5]undecane (CID 14271012) is 2-ethyl-8-methyl-1,7-dioxaspiro[5.5]undecane.
What is the SMILES notation for 2-ethyl-8-methyl-1,7-dioxaspiro[5.5]undecane?
The canonical SMILES for 2-ethyl-8-methyl-1,7-dioxaspiro[5.5]undecane is CCC1CCCC2(CCCC(C)O2)O1.
What is the InChIKey of 2-ethyl-8-methyl-1,7-dioxaspiro[5.5]undecane?
The InChIKey is ICQGEBLJYVWKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-3-11-7-5-9-12(14-11)8-4-6-10(2)13-12/h10-11H,3-9H2,1-2H3.
What are the key properties of 2-ethyl-8-methyl-1,7-dioxaspiro[5.5]undecane?
2-ethyl-8-methyl-1,7-dioxaspiro[5.5]undecane has a molecular weight of 198.31 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-8-methyl-1,7-dioxaspiro[5.5]undecane is sourced from PubChem (CID 14271012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).