8-methyl-3-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]-1-oxa-8-azaspiro[4.5]decane

C17H27NO — CID 142916182

IUPAC8-methyl-3-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]-1-oxa-8-azaspiro[4.5]decane
SMILESC=C(/C=C\C=C/C)CC1COC2(CCN(C)CC2)C1
InChIInChI=1S/C17H27NO/c1-4-5-6-7-15(2)12-16-13-17(19-14-16)8-10-18(3)11-9-17/h4-7,16H,2,8-14H2,1,3H3/b5-4-,7-6-
InChIKeyVMZWLGJTVGYSHT-RZSVFLSASA-N
MW261.41 g/mol
LogP3.57
Rot. Bonds4

About 8-methyl-3-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]-1-oxa-8-azaspiro[4.5]decane

8-methyl-3-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]-1-oxa-8-azaspiro[4.5]decane (PubChem CID 142916182) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 8-methyl-3-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-methyl-3-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]-1-oxa-8-azaspiro[4.5]decane
PubChem CID142916182
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name8-methyl-3-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]-1-oxa-8-azaspiro[4.5]decane
SMILESC=C(/C=C\C=C/C)CC1COC2(CCN(C)CC2)C1
InChIInChI=1S/C17H27NO/c1-4-5-6-7-15(2)12-16-13-17(19-14-16)8-10-18(3)11-9-17/h4-7,16H,2,8-14H2,1,3H3/b5-4-,7-6-
InChIKeyVMZWLGJTVGYSHT-RZSVFLSASA-N
XLogP3.57
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-methyl-3-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]-1-oxa-8-azaspiro[4.5]decane (CID 142916182) is 8-methyl-3-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-methyl-3-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-methyl-3-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]-1-oxa-8-azaspiro[4.5]decane is C=C(/C=C\C=C/C)CC1COC2(CCN(C)CC2)C1.
What is the InChIKey of 8-methyl-3-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is VMZWLGJTVGYSHT-RZSVFLSASA-N. The full InChI is InChI=1S/C17H27NO/c1-4-5-6-7-15(2)12-16-13-17(19-14-16)8-10-18(3)11-9-17/h4-7,16H,2,8-14H2,1,3H3/b5-4-,7-6-.
What are the key properties of 8-methyl-3-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]-1-oxa-8-azaspiro[4.5]decane?
8-methyl-3-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 261.41 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 142916182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).