7,7,8,9,9-pentamethyl-2-undecyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one

C23H44N2O2 — CID 21136455

IUPAC7,7,8,9,9-pentamethyl-2-undecyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one
SMILESCCCCCCCCCCCC1NC(=O)C2(CC(C)(C)N(C)C(C)(C)C2)O1
InChIInChI=1S/C23H44N2O2/c1-7-8-9-10-11-12-13-14-15-16-19-24-20(26)23(27-19)17-21(2,3)25(6)22(4,5)18-23/h19H,7-18H2,1-6H3,(H,24,26)
InChIKeySVWOGOUXXMEBPR-UHFFFAOYSA-N
MW380.62 g/mol
LogP5.40
Rot. Bonds10

About 7,7,8,9,9-pentamethyl-2-undecyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one

7,7,8,9,9-pentamethyl-2-undecyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one (PubChem CID 21136455) has the molecular formula C23H44N2O2 and a molecular weight of 380.62 g/mol. Its IUPAC name is 7,7,8,9,9-pentamethyl-2-undecyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name7,7,8,9,9-pentamethyl-2-undecyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one
PubChem CID21136455
Molecular FormulaC23H44N2O2
Molecular Weight380.62 g/mol
Exact Mass380.34
IUPAC Name7,7,8,9,9-pentamethyl-2-undecyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one
SMILESCCCCCCCCCCCC1NC(=O)C2(CC(C)(C)N(C)C(C)(C)C2)O1
InChIInChI=1S/C23H44N2O2/c1-7-8-9-10-11-12-13-14-15-16-19-24-20(26)23(27-19)17-21(2,3)25(6)22(4,5)18-23/h19H,7-18H2,1-6H3,(H,24,26)
InChIKeySVWOGOUXXMEBPR-UHFFFAOYSA-N
XLogP5.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.62
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 7,7,8,9,9-pentamethyl-2-undecyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one?
The IUPAC name of 7,7,8,9,9-pentamethyl-2-undecyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one (CID 21136455) is 7,7,8,9,9-pentamethyl-2-undecyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one.
What is the SMILES notation for 7,7,8,9,9-pentamethyl-2-undecyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one?
The canonical SMILES for 7,7,8,9,9-pentamethyl-2-undecyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one is CCCCCCCCCCCC1NC(=O)C2(CC(C)(C)N(C)C(C)(C)C2)O1.
What is the InChIKey of 7,7,8,9,9-pentamethyl-2-undecyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one?
The InChIKey is SVWOGOUXXMEBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N2O2/c1-7-8-9-10-11-12-13-14-15-16-19-24-20(26)23(27-19)17-21(2,3)25(6)22(4,5)18-23/h19H,7-18H2,1-6H3,(H,24,26).
What are the key properties of 7,7,8,9,9-pentamethyl-2-undecyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one?
7,7,8,9,9-pentamethyl-2-undecyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one has a molecular weight of 380.62 g/mol, XLogP of 5.40, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,8,9,9-pentamethyl-2-undecyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one is sourced from PubChem (CID 21136455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).