3,8-di(propan-2-yl)-1-oxa-8-azaspiro[4.5]dec-3-ene

C14H25NO — CID 138601150

IUPAC3,8-di(propan-2-yl)-1-oxa-8-azaspiro[4.5]dec-3-ene
SMILESCC(C)C1=CC2(CCN(C(C)C)CC2)OC1
InChIInChI=1S/C14H25NO/c1-11(2)13-9-14(16-10-13)5-7-15(8-6-14)12(3)4/h9,11-12H,5-8,10H2,1-4H3
InChIKeyJHXLLBLRRUZDBJ-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.84
Rot. Bonds2

About 3,8-di(propan-2-yl)-1-oxa-8-azaspiro[4.5]dec-3-ene

3,8-di(propan-2-yl)-1-oxa-8-azaspiro[4.5]dec-3-ene (PubChem CID 138601150) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 3,8-di(propan-2-yl)-1-oxa-8-azaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name3,8-di(propan-2-yl)-1-oxa-8-azaspiro[4.5]dec-3-ene
PubChem CID138601150
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name3,8-di(propan-2-yl)-1-oxa-8-azaspiro[4.5]dec-3-ene
SMILESCC(C)C1=CC2(CCN(C(C)C)CC2)OC1
InChIInChI=1S/C14H25NO/c1-11(2)13-9-14(16-10-13)5-7-15(8-6-14)12(3)4/h9,11-12H,5-8,10H2,1-4H3
InChIKeyJHXLLBLRRUZDBJ-UHFFFAOYSA-N
XLogP2.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,8-di(propan-2-yl)-1-oxa-8-azaspiro[4.5]dec-3-ene?
The IUPAC name of 3,8-di(propan-2-yl)-1-oxa-8-azaspiro[4.5]dec-3-ene (CID 138601150) is 3,8-di(propan-2-yl)-1-oxa-8-azaspiro[4.5]dec-3-ene.
What is the SMILES notation for 3,8-di(propan-2-yl)-1-oxa-8-azaspiro[4.5]dec-3-ene?
The canonical SMILES for 3,8-di(propan-2-yl)-1-oxa-8-azaspiro[4.5]dec-3-ene is CC(C)C1=CC2(CCN(C(C)C)CC2)OC1.
What is the InChIKey of 3,8-di(propan-2-yl)-1-oxa-8-azaspiro[4.5]dec-3-ene?
The InChIKey is JHXLLBLRRUZDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-11(2)13-9-14(16-10-13)5-7-15(8-6-14)12(3)4/h9,11-12H,5-8,10H2,1-4H3.
What are the key properties of 3,8-di(propan-2-yl)-1-oxa-8-azaspiro[4.5]dec-3-ene?
3,8-di(propan-2-yl)-1-oxa-8-azaspiro[4.5]dec-3-ene has a molecular weight of 223.36 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-di(propan-2-yl)-1-oxa-8-azaspiro[4.5]dec-3-ene is sourced from PubChem (CID 138601150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).