ethane;6-[(3Z,4Z)-3-ethylidenehepta-4,6-dienyl]-1-oxa-6-azaspiro[2.5]octane

C17H29NO — CID 142188864

IUPACethane;6-[(3Z,4Z)-3-ethylidenehepta-4,6-dienyl]-1-oxa-6-azaspiro[2.5]octane
SMILESC=C/C=C\C(=C/C)CCN1CCC2(CC1)CO2.CC
InChIInChI=1S/C15H23NO.C2H6/c1-3-5-6-14(4-2)7-10-16-11-8-15(9-12-16)13-17-15;1-2/h3-6H,1,7-13H2,2H3;1-2H3/b6-5-,14-4+;
InChIKeyMUKCGJSLJJAICR-NHRISWHCSA-N
MW263.43 g/mol
LogP3.96
Rot. Bonds5

About ethane;6-[(3Z,4Z)-3-ethylidenehepta-4,6-dienyl]-1-oxa-6-azaspiro[2.5]octane

ethane;6-[(3Z,4Z)-3-ethylidenehepta-4,6-dienyl]-1-oxa-6-azaspiro[2.5]octane (PubChem CID 142188864) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is ethane;6-[(3Z,4Z)-3-ethylidenehepta-4,6-dienyl]-1-oxa-6-azaspiro[2.5]octane.

Molecular Properties

Compound Nameethane;6-[(3Z,4Z)-3-ethylidenehepta-4,6-dienyl]-1-oxa-6-azaspiro[2.5]octane
PubChem CID142188864
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Nameethane;6-[(3Z,4Z)-3-ethylidenehepta-4,6-dienyl]-1-oxa-6-azaspiro[2.5]octane
SMILESC=C/C=C\C(=C/C)CCN1CCC2(CC1)CO2.CC
InChIInChI=1S/C15H23NO.C2H6/c1-3-5-6-14(4-2)7-10-16-11-8-15(9-12-16)13-17-15;1-2/h3-6H,1,7-13H2,2H3;1-2H3/b6-5-,14-4+;
InChIKeyMUKCGJSLJJAICR-NHRISWHCSA-N
XLogP3.96
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;6-[(3Z,4Z)-3-ethylidenehepta-4,6-dienyl]-1-oxa-6-azaspiro[2.5]octane?
The IUPAC name of ethane;6-[(3Z,4Z)-3-ethylidenehepta-4,6-dienyl]-1-oxa-6-azaspiro[2.5]octane (CID 142188864) is ethane;6-[(3Z,4Z)-3-ethylidenehepta-4,6-dienyl]-1-oxa-6-azaspiro[2.5]octane.
What is the SMILES notation for ethane;6-[(3Z,4Z)-3-ethylidenehepta-4,6-dienyl]-1-oxa-6-azaspiro[2.5]octane?
The canonical SMILES for ethane;6-[(3Z,4Z)-3-ethylidenehepta-4,6-dienyl]-1-oxa-6-azaspiro[2.5]octane is C=C/C=C\C(=C/C)CCN1CCC2(CC1)CO2.CC.
What is the InChIKey of ethane;6-[(3Z,4Z)-3-ethylidenehepta-4,6-dienyl]-1-oxa-6-azaspiro[2.5]octane?
The InChIKey is MUKCGJSLJJAICR-NHRISWHCSA-N. The full InChI is InChI=1S/C15H23NO.C2H6/c1-3-5-6-14(4-2)7-10-16-11-8-15(9-12-16)13-17-15;1-2/h3-6H,1,7-13H2,2H3;1-2H3/b6-5-,14-4+;.
What are the key properties of ethane;6-[(3Z,4Z)-3-ethylidenehepta-4,6-dienyl]-1-oxa-6-azaspiro[2.5]octane?
ethane;6-[(3Z,4Z)-3-ethylidenehepta-4,6-dienyl]-1-oxa-6-azaspiro[2.5]octane has a molecular weight of 263.43 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-[(3Z,4Z)-3-ethylidenehepta-4,6-dienyl]-1-oxa-6-azaspiro[2.5]octane is sourced from PubChem (CID 142188864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).