ethane;3-ethyl-2,9-dioxaspiro[5.5]undecane

C15H32O2 — CID 178155976

IUPACethane;3-ethyl-2,9-dioxaspiro[5.5]undecane
SMILESCC.CC.CCC1CCC2(CCOCC2)CO1
InChIInChI=1S/C11H20O2.2C2H6/c1-2-10-3-4-11(9-13-10)5-7-12-8-6-11;2*1-2/h10H,2-9H2,1H3;2*1-2H3
InChIKeyUSSLNKJSQKDCRG-UHFFFAOYSA-N
MW244.42 g/mol
LogP4.42
Rot. Bonds1

About ethane;3-ethyl-2,9-dioxaspiro[5.5]undecane

ethane;3-ethyl-2,9-dioxaspiro[5.5]undecane (PubChem CID 178155976) has the molecular formula C15H32O2 and a molecular weight of 244.42 g/mol. Its IUPAC name is ethane;3-ethyl-2,9-dioxaspiro[5.5]undecane.

Molecular Properties

Compound Nameethane;3-ethyl-2,9-dioxaspiro[5.5]undecane
PubChem CID178155976
Molecular FormulaC15H32O2
Molecular Weight244.42 g/mol
Exact Mass244.24
IUPAC Nameethane;3-ethyl-2,9-dioxaspiro[5.5]undecane
SMILESCC.CC.CCC1CCC2(CCOCC2)CO1
InChIInChI=1S/C11H20O2.2C2H6/c1-2-10-3-4-11(9-13-10)5-7-12-8-6-11;2*1-2/h10H,2-9H2,1H3;2*1-2H3
InChIKeyUSSLNKJSQKDCRG-UHFFFAOYSA-N
XLogP4.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-2,9-dioxaspiro[5.5]undecane?
The IUPAC name of ethane;3-ethyl-2,9-dioxaspiro[5.5]undecane (CID 178155976) is ethane;3-ethyl-2,9-dioxaspiro[5.5]undecane.
What is the SMILES notation for ethane;3-ethyl-2,9-dioxaspiro[5.5]undecane?
The canonical SMILES for ethane;3-ethyl-2,9-dioxaspiro[5.5]undecane is CC.CC.CCC1CCC2(CCOCC2)CO1.
What is the InChIKey of ethane;3-ethyl-2,9-dioxaspiro[5.5]undecane?
The InChIKey is USSLNKJSQKDCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2.2C2H6/c1-2-10-3-4-11(9-13-10)5-7-12-8-6-11;2*1-2/h10H,2-9H2,1H3;2*1-2H3.
What are the key properties of ethane;3-ethyl-2,9-dioxaspiro[5.5]undecane?
ethane;3-ethyl-2,9-dioxaspiro[5.5]undecane has a molecular weight of 244.42 g/mol, XLogP of 4.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-2,9-dioxaspiro[5.5]undecane is sourced from PubChem (CID 178155976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).