ethane;methanol;8-methyl-2-oxa-8-azaspiro[4.5]decane

C12H27NO2 — CID 144900908

IUPACethane;methanol;8-methyl-2-oxa-8-azaspiro[4.5]decane
SMILESCC.CN1CCC2(CCOC2)CC1.CO
InChIInChI=1S/C9H17NO.C2H6.CH4O/c1-10-5-2-9(3-6-10)4-7-11-8-9;2*1-2/h2-8H2,1H3;1-2H3;2H,1H3
InChIKeyFHEKTSYQARCPPS-UHFFFAOYSA-N
MW217.35 g/mol
LogP1.75
Rot. Bonds

About ethane;methanol;8-methyl-2-oxa-8-azaspiro[4.5]decane

ethane;methanol;8-methyl-2-oxa-8-azaspiro[4.5]decane (PubChem CID 144900908) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is ethane;methanol;8-methyl-2-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Nameethane;methanol;8-methyl-2-oxa-8-azaspiro[4.5]decane
PubChem CID144900908
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Nameethane;methanol;8-methyl-2-oxa-8-azaspiro[4.5]decane
SMILESCC.CN1CCC2(CCOC2)CC1.CO
InChIInChI=1S/C9H17NO.C2H6.CH4O/c1-10-5-2-9(3-6-10)4-7-11-8-9;2*1-2/h2-8H2,1H3;1-2H3;2H,1H3
InChIKeyFHEKTSYQARCPPS-UHFFFAOYSA-N
XLogP1.75
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;methanol;8-methyl-2-oxa-8-azaspiro[4.5]decane?
The IUPAC name of ethane;methanol;8-methyl-2-oxa-8-azaspiro[4.5]decane (CID 144900908) is ethane;methanol;8-methyl-2-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for ethane;methanol;8-methyl-2-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for ethane;methanol;8-methyl-2-oxa-8-azaspiro[4.5]decane is CC.CN1CCC2(CCOC2)CC1.CO.
What is the InChIKey of ethane;methanol;8-methyl-2-oxa-8-azaspiro[4.5]decane?
The InChIKey is FHEKTSYQARCPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.C2H6.CH4O/c1-10-5-2-9(3-6-10)4-7-11-8-9;2*1-2/h2-8H2,1H3;1-2H3;2H,1H3.
What are the key properties of ethane;methanol;8-methyl-2-oxa-8-azaspiro[4.5]decane?
ethane;methanol;8-methyl-2-oxa-8-azaspiro[4.5]decane has a molecular weight of 217.35 g/mol, XLogP of 1.75, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanol;8-methyl-2-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 144900908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).