7-hexadecan-8-yl-2-oxa-7-azaspiro[3.5]nonane

C23H45NO — CID 139315491

IUPAC7-hexadecan-8-yl-2-oxa-7-azaspiro[3.5]nonane
SMILESCCCCCCCCC(CCCCCCC)N1CCC2(CC1)COC2
InChIInChI=1S/C23H45NO/c1-3-5-7-9-11-13-15-22(14-12-10-8-6-4-2)24-18-16-23(17-19-24)20-25-21-23/h22H,3-21H2,1-2H3
InChIKeyMPBUTKAGZGHKMT-UHFFFAOYSA-N
MW351.62 g/mol
LogP6.58
Rot. Bonds14

About 7-hexadecan-8-yl-2-oxa-7-azaspiro[3.5]nonane

7-hexadecan-8-yl-2-oxa-7-azaspiro[3.5]nonane (PubChem CID 139315491) has the molecular formula C23H45NO and a molecular weight of 351.62 g/mol. Its IUPAC name is 7-hexadecan-8-yl-2-oxa-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-hexadecan-8-yl-2-oxa-7-azaspiro[3.5]nonane
PubChem CID139315491
Molecular FormulaC23H45NO
Molecular Weight351.62 g/mol
Exact Mass351.35
IUPAC Name7-hexadecan-8-yl-2-oxa-7-azaspiro[3.5]nonane
SMILESCCCCCCCCC(CCCCCCC)N1CCC2(CC1)COC2
InChIInChI=1S/C23H45NO/c1-3-5-7-9-11-13-15-22(14-12-10-8-6-4-2)24-18-16-23(17-19-24)20-25-21-23/h22H,3-21H2,1-2H3
InChIKeyMPBUTKAGZGHKMT-UHFFFAOYSA-N
XLogP6.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.62
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-hexadecan-8-yl-2-oxa-7-azaspiro[3.5]nonane?
The IUPAC name of 7-hexadecan-8-yl-2-oxa-7-azaspiro[3.5]nonane (CID 139315491) is 7-hexadecan-8-yl-2-oxa-7-azaspiro[3.5]nonane.
What is the SMILES notation for 7-hexadecan-8-yl-2-oxa-7-azaspiro[3.5]nonane?
The canonical SMILES for 7-hexadecan-8-yl-2-oxa-7-azaspiro[3.5]nonane is CCCCCCCCC(CCCCCCC)N1CCC2(CC1)COC2.
What is the InChIKey of 7-hexadecan-8-yl-2-oxa-7-azaspiro[3.5]nonane?
The InChIKey is MPBUTKAGZGHKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45NO/c1-3-5-7-9-11-13-15-22(14-12-10-8-6-4-2)24-18-16-23(17-19-24)20-25-21-23/h22H,3-21H2,1-2H3.
What are the key properties of 7-hexadecan-8-yl-2-oxa-7-azaspiro[3.5]nonane?
7-hexadecan-8-yl-2-oxa-7-azaspiro[3.5]nonane has a molecular weight of 351.62 g/mol, XLogP of 6.58, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hexadecan-8-yl-2-oxa-7-azaspiro[3.5]nonane is sourced from PubChem (CID 139315491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).