ethane;1-(8-methyl-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone;1-[(8R)-8-methyl-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone

C24H46N2O4 — CID 169125493

IUPACethane;1-(8-methyl-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone;1-[(8R)-8-methyl-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
SMILESCC.CC.CC(=O)N1CC2(CC(C)CCO2)C1.CC(=O)N1CC2(C[C@H](C)CCO2)C1
InChIInChI=1S/2C10H17NO2.2C2H6/c2*1-8-3-4-13-10(5-8)6-11(7-10)9(2)12;2*1-2/h2*8H,3-7H2,1-2H3;2*1-2H3/t8-;;;/m1.../s1
InChIKeyXJSQVWJNJGESCI-VFIYQRISSA-N
MW426.64 g/mol
LogP4.12
Rot. Bonds

About ethane;1-(8-methyl-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone;1-[(8R)-8-methyl-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone

ethane;1-(8-methyl-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone;1-[(8R)-8-methyl-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone (PubChem CID 169125493) has the molecular formula C24H46N2O4 and a molecular weight of 426.64 g/mol. Its IUPAC name is ethane;1-(8-methyl-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone;1-[(8R)-8-methyl-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone.

Molecular Properties

Compound Nameethane;1-(8-methyl-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone;1-[(8R)-8-methyl-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
PubChem CID169125493
Molecular FormulaC24H46N2O4
Molecular Weight426.64 g/mol
Exact Mass426.35
IUPAC Nameethane;1-(8-methyl-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone;1-[(8R)-8-methyl-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
SMILESCC.CC.CC(=O)N1CC2(CC(C)CCO2)C1.CC(=O)N1CC2(C[C@H](C)CCO2)C1
InChIInChI=1S/2C10H17NO2.2C2H6/c2*1-8-3-4-13-10(5-8)6-11(7-10)9(2)12;2*1-2/h2*8H,3-7H2,1-2H3;2*1-2H3/t8-;;;/m1.../s1
InChIKeyXJSQVWJNJGESCI-VFIYQRISSA-N
XLogP4.12
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.64
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethane;1-(8-methyl-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone;1-[(8R)-8-methyl-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone with MolForge

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Related Compounds

2,2-diethyl-4-methyloxane;ethane;1-[(8R)-8-methyl-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone;propan-2-one
CID 169125959
ethane;1-(8-propan-2-yl-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone
CID 164867774
(7S)-7-methyl-4-oxaspiro[2.5]octane
CID 139336511
1-[(8S)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 124801146
4-methyl-1,9-dioxaspiro[5.5]undecane
CID 131067264
ethane;6-methyl-1-oxaspiro[3.4]octane
CID 144986625
9-methyl-2,6-dioxaspiro[4.5]decane
CID 177019737
N-[(5R,9R)-2-acetyl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide
CID 97420149
ethane;1-(3-methylazetidin-1-yl)ethanone
CID 143998304
2-(9-acetyl-1-oxa-9-azaspiro[5.5]undecan-4-yl)acetic acid
CID 90488086
(4S)-4-methyl-2-(trifluoromethyl)oxan-2-ol
CID 59705891
ethane;1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 176561282

Frequently Asked Questions

What is the IUPAC name of ethane;1-(8-methyl-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone;1-[(8R)-8-methyl-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone?
The IUPAC name of ethane;1-(8-methyl-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone;1-[(8R)-8-methyl-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone (CID 169125493) is ethane;1-(8-methyl-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone;1-[(8R)-8-methyl-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone.
What is the SMILES notation for ethane;1-(8-methyl-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone;1-[(8R)-8-methyl-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone?
The canonical SMILES for ethane;1-(8-methyl-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone;1-[(8R)-8-methyl-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone is CC.CC.CC(=O)N1CC2(CC(C)CCO2)C1.CC(=O)N1CC2(C[C@H](C)CCO2)C1.
What is the InChIKey of ethane;1-(8-methyl-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone;1-[(8R)-8-methyl-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone?
The InChIKey is XJSQVWJNJGESCI-VFIYQRISSA-N. The full InChI is InChI=1S/2C10H17NO2.2C2H6/c2*1-8-3-4-13-10(5-8)6-11(7-10)9(2)12;2*1-2/h2*8H,3-7H2,1-2H3;2*1-2H3/t8-;;;/m1.../s1.
What are the key properties of ethane;1-(8-methyl-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone;1-[(8R)-8-methyl-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone?
ethane;1-(8-methyl-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone;1-[(8R)-8-methyl-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone has a molecular weight of 426.64 g/mol, XLogP of 4.12, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(8-methyl-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone;1-[(8R)-8-methyl-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone is sourced from PubChem (CID 169125493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).