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

C12H22O2 — CID 10104199

IUPAC9-ethyl-2-methyl-1,7-dioxaspiro[5.5]undecane
SMILESCCC1CCC2(CCCC(C)O2)OC1
InChIInChI=1S/C12H22O2/c1-3-11-6-8-12(13-9-11)7-4-5-10(2)14-12/h10-11H,3-9H2,1-2H3
InChIKeyFCMOPBOGJYJJGX-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.11
Rot. Bonds1

About 9-ethyl-2-methyl-1,7-dioxaspiro[5.5]undecane

9-ethyl-2-methyl-1,7-dioxaspiro[5.5]undecane (PubChem CID 10104199) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 9-ethyl-2-methyl-1,7-dioxaspiro[5.5]undecane.

Molecular Properties

Compound Name9-ethyl-2-methyl-1,7-dioxaspiro[5.5]undecane
PubChem CID10104199
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name9-ethyl-2-methyl-1,7-dioxaspiro[5.5]undecane
SMILESCCC1CCC2(CCCC(C)O2)OC1
InChIInChI=1S/C12H22O2/c1-3-11-6-8-12(13-9-11)7-4-5-10(2)14-12/h10-11H,3-9H2,1-2H3
InChIKeyFCMOPBOGJYJJGX-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-2-methyl-1,7-dioxaspiro[5.5]undecane?
The IUPAC name of 9-ethyl-2-methyl-1,7-dioxaspiro[5.5]undecane (CID 10104199) is 9-ethyl-2-methyl-1,7-dioxaspiro[5.5]undecane.
What is the SMILES notation for 9-ethyl-2-methyl-1,7-dioxaspiro[5.5]undecane?
The canonical SMILES for 9-ethyl-2-methyl-1,7-dioxaspiro[5.5]undecane is CCC1CCC2(CCCC(C)O2)OC1.
What is the InChIKey of 9-ethyl-2-methyl-1,7-dioxaspiro[5.5]undecane?
The InChIKey is FCMOPBOGJYJJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-3-11-6-8-12(13-9-11)7-4-5-10(2)14-12/h10-11H,3-9H2,1-2H3.
What are the key properties of 9-ethyl-2-methyl-1,7-dioxaspiro[5.5]undecane?
9-ethyl-2-methyl-1,7-dioxaspiro[5.5]undecane has a molecular weight of 198.31 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-2-methyl-1,7-dioxaspiro[5.5]undecane is sourced from PubChem (CID 10104199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).