ethane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane

C11H23NO — CID 158223756

IUPACethane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane
SMILESCC.CC(C)N1CCC2(COC2)C1
InChIInChI=1S/C9H17NO.C2H6/c1-8(2)10-4-3-9(5-10)6-11-7-9;1-2/h8H,3-7H2,1-2H3;1-2H3
InChIKeyGDOBWSGXGIDDCX-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.14
Rot. Bonds1

About ethane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane

ethane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane (PubChem CID 158223756) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is ethane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane.

Molecular Properties

Compound Nameethane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane
PubChem CID158223756
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Nameethane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane
SMILESCC.CC(C)N1CCC2(COC2)C1
InChIInChI=1S/C9H17NO.C2H6/c1-8(2)10-4-3-9(5-10)6-11-7-9;1-2/h8H,3-7H2,1-2H3;1-2H3
InChIKeyGDOBWSGXGIDDCX-UHFFFAOYSA-N
XLogP2.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;7-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane
CID 163266549
ethane;2-propan-2-yl-2-azaspiro[4.5]decane;2-propan-2-yl-2-azaspiro[4.4]nonane;2-propan-2-yl-8-oxa-2-azaspiro[4.5]decane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane
CID 167593121
7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane
CID 90348092
2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;8-propan-2-yl-2-oxa-8-azaspiro[3.5]nonane
CID 170709269
methane;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane
CID 159337288
2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane
CID 163848476
9-methyl-2-propan-2-yl-7-oxa-2-azaspiro[4.5]decane
CID 166858231
ethane;2-propan-2-yl-2-azaspiro[4.5]decane
CID 144877753
2,2-difluoro-6-propan-2-yl-6-azaspiro[3.4]octane;ethane
CID 170740276
1-(7-propan-2-yl-2,7-diazaspiro[4.4]nonan-2-yl)ethanethiol
CID 130380883
2,9-di(propan-2-yl)-2,9-diazaspiro[5.5]undecane;ethane
CID 172605205
ethane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane
CID 145449305

Frequently Asked Questions

What is the IUPAC name of ethane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane?
The IUPAC name of ethane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane (CID 158223756) is ethane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane.
What is the SMILES notation for ethane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane?
The canonical SMILES for ethane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane is CC.CC(C)N1CCC2(COC2)C1.
What is the InChIKey of ethane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane?
The InChIKey is GDOBWSGXGIDDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.C2H6/c1-8(2)10-4-3-9(5-10)6-11-7-9;1-2/h8H,3-7H2,1-2H3;1-2H3.
What are the key properties of ethane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane?
ethane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane has a molecular weight of 185.31 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane is sourced from PubChem (CID 158223756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).