8-methyl-3-[(3Z,6Z)-nona-3,6,8-trienyl]-1-oxa-8-azaspiro[4.5]decane

C18H29NO — CID 142916212

IUPAC8-methyl-3-[(3Z,6Z)-nona-3,6,8-trienyl]-1-oxa-8-azaspiro[4.5]decane
SMILESC=C/C=C\C/C=C\CCC1COC2(CCN(C)CC2)C1
InChIInChI=1S/C18H29NO/c1-3-4-5-6-7-8-9-10-17-15-18(20-16-17)11-13-19(2)14-12-18/h3-5,7-8,17H,1,6,9-16H2,2H3/b5-4-,8-7-
InChIKeyLGNSRIUBQZXYFN-UTOQUPLUSA-N
MW275.44 g/mol
LogP3.96
Rot. Bonds6

About 8-methyl-3-[(3Z,6Z)-nona-3,6,8-trienyl]-1-oxa-8-azaspiro[4.5]decane

8-methyl-3-[(3Z,6Z)-nona-3,6,8-trienyl]-1-oxa-8-azaspiro[4.5]decane (PubChem CID 142916212) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 8-methyl-3-[(3Z,6Z)-nona-3,6,8-trienyl]-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-methyl-3-[(3Z,6Z)-nona-3,6,8-trienyl]-1-oxa-8-azaspiro[4.5]decane
PubChem CID142916212
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name8-methyl-3-[(3Z,6Z)-nona-3,6,8-trienyl]-1-oxa-8-azaspiro[4.5]decane
SMILESC=C/C=C\C/C=C\CCC1COC2(CCN(C)CC2)C1
InChIInChI=1S/C18H29NO/c1-3-4-5-6-7-8-9-10-17-15-18(20-16-17)11-13-19(2)14-12-18/h3-5,7-8,17H,1,6,9-16H2,2H3/b5-4-,8-7-
InChIKeyLGNSRIUBQZXYFN-UTOQUPLUSA-N
XLogP3.96
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-[(3Z,6Z)-nona-3,6,8-trienyl]-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-methyl-3-[(3Z,6Z)-nona-3,6,8-trienyl]-1-oxa-8-azaspiro[4.5]decane (CID 142916212) is 8-methyl-3-[(3Z,6Z)-nona-3,6,8-trienyl]-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-methyl-3-[(3Z,6Z)-nona-3,6,8-trienyl]-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-methyl-3-[(3Z,6Z)-nona-3,6,8-trienyl]-1-oxa-8-azaspiro[4.5]decane is C=C/C=C\C/C=C\CCC1COC2(CCN(C)CC2)C1.
What is the InChIKey of 8-methyl-3-[(3Z,6Z)-nona-3,6,8-trienyl]-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is LGNSRIUBQZXYFN-UTOQUPLUSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-4-5-6-7-8-9-10-17-15-18(20-16-17)11-13-19(2)14-12-18/h3-5,7-8,17H,1,6,9-16H2,2H3/b5-4-,8-7-.
What are the key properties of 8-methyl-3-[(3Z,6Z)-nona-3,6,8-trienyl]-1-oxa-8-azaspiro[4.5]decane?
8-methyl-3-[(3Z,6Z)-nona-3,6,8-trienyl]-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 275.44 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-[(3Z,6Z)-nona-3,6,8-trienyl]-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 142916212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).