9-[(3Z)-3-ethenylhexa-3,5-dienyl]-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecane

C19H32N2O — CID 145311389

IUPAC9-[(3Z)-3-ethenylhexa-3,5-dienyl]-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESC=C/C=C(\C=C)CCN1CCC2(CC1)CN(CC)CC(C)O2
InChIInChI=1S/C19H32N2O/c1-5-8-18(6-2)9-12-21-13-10-19(11-14-21)16-20(7-3)15-17(4)22-19/h5-6,8,17H,1-2,7,9-16H2,3-4H3/b18-8+
InChIKeyAWBUEPFSTJBHTG-QGMBQPNBSA-N
MW304.48 g/mol
LogP3.25
Rot. Bonds6

About 9-[(3Z)-3-ethenylhexa-3,5-dienyl]-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecane

9-[(3Z)-3-ethenylhexa-3,5-dienyl]-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 145311389) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is 9-[(3Z)-3-ethenylhexa-3,5-dienyl]-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-[(3Z)-3-ethenylhexa-3,5-dienyl]-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID145311389
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC Name9-[(3Z)-3-ethenylhexa-3,5-dienyl]-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESC=C/C=C(\C=C)CCN1CCC2(CC1)CN(CC)CC(C)O2
InChIInChI=1S/C19H32N2O/c1-5-8-18(6-2)9-12-21-13-10-19(11-14-21)16-20(7-3)15-17(4)22-19/h5-6,8,17H,1-2,7,9-16H2,3-4H3/b18-8+
InChIKeyAWBUEPFSTJBHTG-QGMBQPNBSA-N
XLogP3.25
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-[(3Z)-3-ethenylhexa-3,5-dienyl]-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-[(3Z)-3-ethenylhexa-3,5-dienyl]-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecane (CID 145311389) is 9-[(3Z)-3-ethenylhexa-3,5-dienyl]-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-[(3Z)-3-ethenylhexa-3,5-dienyl]-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-[(3Z)-3-ethenylhexa-3,5-dienyl]-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecane is C=C/C=C(\C=C)CCN1CCC2(CC1)CN(CC)CC(C)O2.
What is the InChIKey of 9-[(3Z)-3-ethenylhexa-3,5-dienyl]-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is AWBUEPFSTJBHTG-QGMBQPNBSA-N. The full InChI is InChI=1S/C19H32N2O/c1-5-8-18(6-2)9-12-21-13-10-19(11-14-21)16-20(7-3)15-17(4)22-19/h5-6,8,17H,1-2,7,9-16H2,3-4H3/b18-8+.
What are the key properties of 9-[(3Z)-3-ethenylhexa-3,5-dienyl]-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecane?
9-[(3Z)-3-ethenylhexa-3,5-dienyl]-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 304.48 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3Z)-3-ethenylhexa-3,5-dienyl]-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 145311389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).