[8-(2-methylbutan-2-yl)-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl] hydrogen carbonate

C14H23NO4 — CID 69116786

IUPAC[8-(2-methylbutan-2-yl)-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl] hydrogen carbonate
SMILESCCC(C)(C)C1CCC2(CC1)CC(OC(=O)O)=NO2
InChIInChI=1S/C14H23NO4/c1-4-13(2,3)10-5-7-14(8-6-10)9-11(15-19-14)18-12(16)17/h10H,4-9H2,1-3H3,(H,16,17)
InChIKeyQOSYQIUQFKRTMQ-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.78
Rot. Bonds2

About [8-(2-methylbutan-2-yl)-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl] hydrogen carbonate

[8-(2-methylbutan-2-yl)-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl] hydrogen carbonate (PubChem CID 69116786) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is [8-(2-methylbutan-2-yl)-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl] hydrogen carbonate.

Molecular Properties

Compound Name[8-(2-methylbutan-2-yl)-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl] hydrogen carbonate
PubChem CID69116786
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name[8-(2-methylbutan-2-yl)-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl] hydrogen carbonate
SMILESCCC(C)(C)C1CCC2(CC1)CC(OC(=O)O)=NO2
InChIInChI=1S/C14H23NO4/c1-4-13(2,3)10-5-7-14(8-6-10)9-11(15-19-14)18-12(16)17/h10H,4-9H2,1-3H3,(H,16,17)
InChIKeyQOSYQIUQFKRTMQ-UHFFFAOYSA-N
XLogP3.78
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [8-(2-methylbutan-2-yl)-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl] hydrogen carbonate?
The IUPAC name of [8-(2-methylbutan-2-yl)-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl] hydrogen carbonate (CID 69116786) is [8-(2-methylbutan-2-yl)-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl] hydrogen carbonate.
What is the SMILES notation for [8-(2-methylbutan-2-yl)-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl] hydrogen carbonate?
The canonical SMILES for [8-(2-methylbutan-2-yl)-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl] hydrogen carbonate is CCC(C)(C)C1CCC2(CC1)CC(OC(=O)O)=NO2.
What is the InChIKey of [8-(2-methylbutan-2-yl)-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl] hydrogen carbonate?
The InChIKey is QOSYQIUQFKRTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-4-13(2,3)10-5-7-14(8-6-10)9-11(15-19-14)18-12(16)17/h10H,4-9H2,1-3H3,(H,16,17).
What are the key properties of [8-(2-methylbutan-2-yl)-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl] hydrogen carbonate?
[8-(2-methylbutan-2-yl)-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl] hydrogen carbonate has a molecular weight of 269.34 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(2-methylbutan-2-yl)-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl] hydrogen carbonate is sourced from PubChem (CID 69116786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).