8-ethyl-8-methyl-1,4-dioxaspiro[4.5]decane

C11H20O2 — CID 58388230

IUPAC8-ethyl-8-methyl-1,4-dioxaspiro[4.5]decane
SMILESCCC1(C)CCC2(CC1)OCCO2
InChIInChI=1S/C11H20O2/c1-3-10(2)4-6-11(7-5-10)12-8-9-13-11/h3-9H2,1-2H3
InChIKeyDHWRWRTZONQEQN-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.72
Rot. Bonds1

About 8-ethyl-8-methyl-1,4-dioxaspiro[4.5]decane

8-ethyl-8-methyl-1,4-dioxaspiro[4.5]decane (PubChem CID 58388230) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 8-ethyl-8-methyl-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-ethyl-8-methyl-1,4-dioxaspiro[4.5]decane
PubChem CID58388230
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name8-ethyl-8-methyl-1,4-dioxaspiro[4.5]decane
SMILESCCC1(C)CCC2(CC1)OCCO2
InChIInChI=1S/C11H20O2/c1-3-10(2)4-6-11(7-5-10)12-8-9-13-11/h3-9H2,1-2H3
InChIKeyDHWRWRTZONQEQN-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-8-methyl-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-ethyl-8-methyl-1,4-dioxaspiro[4.5]decane (CID 58388230) is 8-ethyl-8-methyl-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-ethyl-8-methyl-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-ethyl-8-methyl-1,4-dioxaspiro[4.5]decane is CCC1(C)CCC2(CC1)OCCO2.
What is the InChIKey of 8-ethyl-8-methyl-1,4-dioxaspiro[4.5]decane?
The InChIKey is DHWRWRTZONQEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-10(2)4-6-11(7-5-10)12-8-9-13-11/h3-9H2,1-2H3.
What are the key properties of 8-ethyl-8-methyl-1,4-dioxaspiro[4.5]decane?
8-ethyl-8-methyl-1,4-dioxaspiro[4.5]decane has a molecular weight of 184.28 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-8-methyl-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 58388230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).