2-ethyl-9-methyl-1,10-dioxaspiro[4.5]decane

C11H20O2 — CID 15613616

IUPAC2-ethyl-9-methyl-1,10-dioxaspiro[4.5]decane
SMILESCCC1CCC2(CCCC(C)O2)O1
InChIInChI=1S/C11H20O2/c1-3-10-6-8-11(13-10)7-4-5-9(2)12-11/h9-10H,3-8H2,1-2H3
InChIKeyQPZCAIDDTOIXQQ-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.86
Rot. Bonds1

About 2-ethyl-9-methyl-1,10-dioxaspiro[4.5]decane

2-ethyl-9-methyl-1,10-dioxaspiro[4.5]decane (PubChem CID 15613616) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-ethyl-9-methyl-1,10-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name2-ethyl-9-methyl-1,10-dioxaspiro[4.5]decane
PubChem CID15613616
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-ethyl-9-methyl-1,10-dioxaspiro[4.5]decane
SMILESCCC1CCC2(CCCC(C)O2)O1
InChIInChI=1S/C11H20O2/c1-3-10-6-8-11(13-10)7-4-5-9(2)12-11/h9-10H,3-8H2,1-2H3
InChIKeyQPZCAIDDTOIXQQ-UHFFFAOYSA-N
XLogP2.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-9-methyl-1,10-dioxaspiro[4.5]decane?
The IUPAC name of 2-ethyl-9-methyl-1,10-dioxaspiro[4.5]decane (CID 15613616) is 2-ethyl-9-methyl-1,10-dioxaspiro[4.5]decane.
What is the SMILES notation for 2-ethyl-9-methyl-1,10-dioxaspiro[4.5]decane?
The canonical SMILES for 2-ethyl-9-methyl-1,10-dioxaspiro[4.5]decane is CCC1CCC2(CCCC(C)O2)O1.
What is the InChIKey of 2-ethyl-9-methyl-1,10-dioxaspiro[4.5]decane?
The InChIKey is QPZCAIDDTOIXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-10-6-8-11(13-10)7-4-5-9(2)12-11/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-ethyl-9-methyl-1,10-dioxaspiro[4.5]decane?
2-ethyl-9-methyl-1,10-dioxaspiro[4.5]decane has a molecular weight of 184.28 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-9-methyl-1,10-dioxaspiro[4.5]decane is sourced from PubChem (CID 15613616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).