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

C18H34N2O3 — CID 19989070

IUPAC2-hexyl-8-hydroxy-2,7,7,9,9-pentamethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one
SMILESCCCCCCC1(C)NC(=O)C2(CC(C)(C)N(O)C(C)(C)C2)O1
InChIInChI=1S/C18H34N2O3/c1-7-8-9-10-11-17(6)19-14(21)18(23-17)12-15(2,3)20(22)16(4,5)13-18/h22H,7-13H2,1-6H3,(H,19,21)
InChIKeyCGJXIZWERINZPA-UHFFFAOYSA-N
MW326.48 g/mol
LogP3.60
Rot. Bonds5

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

2-hexyl-8-hydroxy-2,7,7,9,9-pentamethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one (PubChem CID 19989070) has the molecular formula C18H34N2O3 and a molecular weight of 326.48 g/mol. Its IUPAC name is 2-hexyl-8-hydroxy-2,7,7,9,9-pentamethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name2-hexyl-8-hydroxy-2,7,7,9,9-pentamethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one
PubChem CID19989070
Molecular FormulaC18H34N2O3
Molecular Weight326.48 g/mol
Exact Mass326.26
IUPAC Name2-hexyl-8-hydroxy-2,7,7,9,9-pentamethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one
SMILESCCCCCCC1(C)NC(=O)C2(CC(C)(C)N(O)C(C)(C)C2)O1
InChIInChI=1S/C18H34N2O3/c1-7-8-9-10-11-17(6)19-14(21)18(23-17)12-15(2,3)20(22)16(4,5)13-18/h22H,7-13H2,1-6H3,(H,19,21)
InChIKeyCGJXIZWERINZPA-UHFFFAOYSA-N
XLogP3.60
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-hexyl-8-hydroxy-2,7,7,9,9-pentamethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one?
The IUPAC name of 2-hexyl-8-hydroxy-2,7,7,9,9-pentamethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one (CID 19989070) is 2-hexyl-8-hydroxy-2,7,7,9,9-pentamethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one.
What is the SMILES notation for 2-hexyl-8-hydroxy-2,7,7,9,9-pentamethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one?
The canonical SMILES for 2-hexyl-8-hydroxy-2,7,7,9,9-pentamethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one is CCCCCCC1(C)NC(=O)C2(CC(C)(C)N(O)C(C)(C)C2)O1.
What is the InChIKey of 2-hexyl-8-hydroxy-2,7,7,9,9-pentamethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one?
The InChIKey is CGJXIZWERINZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O3/c1-7-8-9-10-11-17(6)19-14(21)18(23-17)12-15(2,3)20(22)16(4,5)13-18/h22H,7-13H2,1-6H3,(H,19,21).
What are the key properties of 2-hexyl-8-hydroxy-2,7,7,9,9-pentamethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one?
2-hexyl-8-hydroxy-2,7,7,9,9-pentamethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one has a molecular weight of 326.48 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-8-hydroxy-2,7,7,9,9-pentamethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one is sourced from PubChem (CID 19989070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).