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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Related Compounds

6-Fluoro-2,3,4,8-tetramethyl-1-oxa-8-azaspiro[4.5]dec-3-ene
CID 177161914
9-Methyl-1-oxa-9-azaspiro[5.5]undec-3-ene
CID 21050545
N-ethyl-4-(4-hepta-2,4,6-trien-2-yl-1-methylpiperidin-4-yl)oxy-N,4-dimethylpentan-2-amine
CID 90970266
8-ethyl-2-methyl-3,4-bis[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-ene
CID 130220142
8-tert-butyl-3,4-bis[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-ene
CID 130220365
3-Methoxy-8-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene
CID 135252236
3,8-Di(propan-2-yl)-1-oxa-8-azaspiro[4.5]dec-3-ene
CID 138601150
ethane;4-[(3E,6E)-4-ethenyl-6-[(Z)-prop-1-enyl]nona-1,3,6,8-tetraen-5-yl]oxy-1-methylpiperidine;prop-1-ene
CID 142087458
4-[(3E,6E)-4,6-bis[(Z)-prop-1-enyl]nona-1,3,6,8-tetraen-5-yl]oxy-1-methylpiperidine;ethane
CID 142087467
ethane;4-methoxy-1-methyl-4-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]piperidine
CID 142861523
4-Ethenyl-1-methyl-4-propoxypiperidine
CID 143860830
ethane;3-ethenyl-8-methyl-2-[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-2-ene
CID 144047464

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).