ethane;2-methyl-5,8-dioxa-2-azaspiro[3.4]octane

C8H17NO2 — CID 164532769

IUPACethane;2-methyl-5,8-dioxa-2-azaspiro[3.4]octane
SMILESCC.CN1CC2(C1)OCCO2
InChIInChI=1S/C6H11NO2.C2H6/c1-7-4-6(5-7)8-2-3-9-6;1-2/h2-5H2,1H3;1-2H3
InChIKeyCHLJQYRDGZBHLR-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.70
Rot. Bonds

About ethane;2-methyl-5,8-dioxa-2-azaspiro[3.4]octane

ethane;2-methyl-5,8-dioxa-2-azaspiro[3.4]octane (PubChem CID 164532769) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is ethane;2-methyl-5,8-dioxa-2-azaspiro[3.4]octane.

Molecular Properties

Compound Nameethane;2-methyl-5,8-dioxa-2-azaspiro[3.4]octane
PubChem CID164532769
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Nameethane;2-methyl-5,8-dioxa-2-azaspiro[3.4]octane
SMILESCC.CN1CC2(C1)OCCO2
InChIInChI=1S/C6H11NO2.C2H6/c1-7-4-6(5-7)8-2-3-9-6;1-2/h2-5H2,1H3;1-2H3
InChIKeyCHLJQYRDGZBHLR-UHFFFAOYSA-N
XLogP0.70
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-5,8-dioxa-2-azaspiro[3.4]octane?
The IUPAC name of ethane;2-methyl-5,8-dioxa-2-azaspiro[3.4]octane (CID 164532769) is ethane;2-methyl-5,8-dioxa-2-azaspiro[3.4]octane.
What is the SMILES notation for ethane;2-methyl-5,8-dioxa-2-azaspiro[3.4]octane?
The canonical SMILES for ethane;2-methyl-5,8-dioxa-2-azaspiro[3.4]octane is CC.CN1CC2(C1)OCCO2.
What is the InChIKey of ethane;2-methyl-5,8-dioxa-2-azaspiro[3.4]octane?
The InChIKey is CHLJQYRDGZBHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.C2H6/c1-7-4-6(5-7)8-2-3-9-6;1-2/h2-5H2,1H3;1-2H3.
What are the key properties of ethane;2-methyl-5,8-dioxa-2-azaspiro[3.4]octane?
ethane;2-methyl-5,8-dioxa-2-azaspiro[3.4]octane has a molecular weight of 159.23 g/mol, XLogP of 0.70, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-5,8-dioxa-2-azaspiro[3.4]octane is sourced from PubChem (CID 164532769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).