ethane;8-ethyl-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene;prop-1-ene

C18H37NO — CID 142848892

IUPACethane;8-ethyl-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene;prop-1-ene
SMILESC=CC.CC.CC.CCN1CCC2(C=C(C)CO2)CC1
InChIInChI=1S/C11H19NO.C3H6.2C2H6/c1-3-12-6-4-11(5-7-12)8-10(2)9-13-11;1-3-2;2*1-2/h8H,3-7,9H2,1-2H3;3H,1H2,2H3;2*1-2H3
InChIKeyIJXRTHXCSMKINY-UHFFFAOYSA-N
MW283.50 g/mol
LogP5.06
Rot. Bonds1

About ethane;8-ethyl-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene;prop-1-ene

ethane;8-ethyl-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene;prop-1-ene (PubChem CID 142848892) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is ethane;8-ethyl-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene;prop-1-ene.

Molecular Properties

Compound Nameethane;8-ethyl-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene;prop-1-ene
PubChem CID142848892
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Nameethane;8-ethyl-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene;prop-1-ene
SMILESC=CC.CC.CC.CCN1CCC2(C=C(C)CO2)CC1
InChIInChI=1S/C11H19NO.C3H6.2C2H6/c1-3-12-6-4-11(5-7-12)8-10(2)9-13-11;1-3-2;2*1-2/h8H,3-7,9H2,1-2H3;3H,1H2,2H3;2*1-2H3
InChIKeyIJXRTHXCSMKINY-UHFFFAOYSA-N
XLogP5.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.50
LogP ≤ 55.06
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 ethane;8-ethyl-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene;prop-1-ene?
The IUPAC name of ethane;8-ethyl-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene;prop-1-ene (CID 142848892) is ethane;8-ethyl-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene;prop-1-ene.
What is the SMILES notation for ethane;8-ethyl-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene;prop-1-ene?
The canonical SMILES for ethane;8-ethyl-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene;prop-1-ene is C=CC.CC.CC.CCN1CCC2(C=C(C)CO2)CC1.
What is the InChIKey of ethane;8-ethyl-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene;prop-1-ene?
The InChIKey is IJXRTHXCSMKINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO.C3H6.2C2H6/c1-3-12-6-4-11(5-7-12)8-10(2)9-13-11;1-3-2;2*1-2/h8H,3-7,9H2,1-2H3;3H,1H2,2H3;2*1-2H3.
What are the key properties of ethane;8-ethyl-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene;prop-1-ene?
ethane;8-ethyl-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene;prop-1-ene has a molecular weight of 283.50 g/mol, XLogP of 5.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-ethyl-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene;prop-1-ene is sourced from PubChem (CID 142848892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).