2,9-diethyl-1,10-dioxaspiro[4.5]decane

C12H22O2 — CID 56940672

IUPAC2,9-diethyl-1,10-dioxaspiro[4.5]decane
SMILESCCC1CCCC2(CCC(CC)O2)O1
InChIInChI=1S/C12H22O2/c1-3-10-6-5-8-12(13-10)9-7-11(4-2)14-12/h10-11H,3-9H2,1-2H3
InChIKeyIWEQWVHHNRXINS-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.25
Rot. Bonds2

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

2,9-diethyl-1,10-dioxaspiro[4.5]decane (PubChem CID 56940672) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2,9-diethyl-1,10-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name2,9-diethyl-1,10-dioxaspiro[4.5]decane
PubChem CID56940672
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name2,9-diethyl-1,10-dioxaspiro[4.5]decane
SMILESCCC1CCCC2(CCC(CC)O2)O1
InChIInChI=1S/C12H22O2/c1-3-10-6-5-8-12(13-10)9-7-11(4-2)14-12/h10-11H,3-9H2,1-2H3
InChIKeyIWEQWVHHNRXINS-UHFFFAOYSA-N
XLogP3.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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 2,9-diethyl-1,10-dioxaspiro[4.5]decane?
The IUPAC name of 2,9-diethyl-1,10-dioxaspiro[4.5]decane (CID 56940672) is 2,9-diethyl-1,10-dioxaspiro[4.5]decane.
What is the SMILES notation for 2,9-diethyl-1,10-dioxaspiro[4.5]decane?
The canonical SMILES for 2,9-diethyl-1,10-dioxaspiro[4.5]decane is CCC1CCCC2(CCC(CC)O2)O1.
What is the InChIKey of 2,9-diethyl-1,10-dioxaspiro[4.5]decane?
The InChIKey is IWEQWVHHNRXINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-3-10-6-5-8-12(13-10)9-7-11(4-2)14-12/h10-11H,3-9H2,1-2H3.
What are the key properties of 2,9-diethyl-1,10-dioxaspiro[4.5]decane?
2,9-diethyl-1,10-dioxaspiro[4.5]decane has a molecular weight of 198.31 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-diethyl-1,10-dioxaspiro[4.5]decane is sourced from PubChem (CID 56940672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).