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

C20H38N2O2 — CID 151693263

IUPAC2-ethyl-4-hexyl-2,7,7,9,9-pentamethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one
SMILESCCCCCCN1C(=O)C(C)(CC)OC12CC(C)(C)NC(C)(C)C2
InChIInChI=1S/C20H38N2O2/c1-8-10-11-12-13-22-16(23)19(7,9-2)24-20(22)14-17(3,4)21-18(5,6)15-20/h21H,8-15H2,1-7H3
InChIKeyRDAFVSMGURJSRJ-UHFFFAOYSA-N
MW338.54 g/mol
LogP4.23
Rot. Bonds6

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

2-ethyl-4-hexyl-2,7,7,9,9-pentamethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 151693263) has the molecular formula C20H38N2O2 and a molecular weight of 338.54 g/mol. Its IUPAC name is 2-ethyl-4-hexyl-2,7,7,9,9-pentamethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-ethyl-4-hexyl-2,7,7,9,9-pentamethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one
PubChem CID151693263
Molecular FormulaC20H38N2O2
Molecular Weight338.54 g/mol
Exact Mass338.29
IUPAC Name2-ethyl-4-hexyl-2,7,7,9,9-pentamethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one
SMILESCCCCCCN1C(=O)C(C)(CC)OC12CC(C)(C)NC(C)(C)C2
InChIInChI=1S/C20H38N2O2/c1-8-10-11-12-13-22-16(23)19(7,9-2)24-20(22)14-17(3,4)21-18(5,6)15-20/h21H,8-15H2,1-7H3
InChIKeyRDAFVSMGURJSRJ-UHFFFAOYSA-N
XLogP4.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.54
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-ethyl-4-hexyl-2,7,7,9,9-pentamethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one with MolForge

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Related Compounds

20-(3-Methoxy-2-methylpropyl)-2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one
CID 18715872
8,8,10,10,13-Pentamethyl-5-oxa-9,13-diazadispiro[3.1.56.24]tridecan-12-one
CID 18715882
2,2,3,7,7,8,9,9-Octamethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one
CID 18716435
2,2,4,4,20-Pentamethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one
CID 18716436
2,2,7,7,9,9-Hexamethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one
CID 20487776
2,7,7,9,9-Pentamethyl-2-isopropyl-1-oxa-4,8-diaza-spiro[4.5]decan-3-one
CID 20487780
2,7,7,9,9-Pentamethyl-2-ethyl-3-(2,3-epoxypropyl)-1-oxa-3,8-diaza-spiro[4.5]decan-4-one
CID 20487783
20-(3-Methoxypropyl)-2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one
CID 20776231
7,7,8,9,9-Pentamethyl-2-undecyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one
CID 21136455
2,2,3,4,4-Pentamethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one
CID 21958143
2,2,4,4-Tetramethyl-20-(3-oxobutyl)-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one
CID 22094148
2,2,7,7,8,9,9-Heptamethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one
CID 22094151

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-hexyl-2,7,7,9,9-pentamethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-ethyl-4-hexyl-2,7,7,9,9-pentamethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one (CID 151693263) is 2-ethyl-4-hexyl-2,7,7,9,9-pentamethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-ethyl-4-hexyl-2,7,7,9,9-pentamethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-ethyl-4-hexyl-2,7,7,9,9-pentamethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one is CCCCCCN1C(=O)C(C)(CC)OC12CC(C)(C)NC(C)(C)C2.
What is the InChIKey of 2-ethyl-4-hexyl-2,7,7,9,9-pentamethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is RDAFVSMGURJSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2O2/c1-8-10-11-12-13-22-16(23)19(7,9-2)24-20(22)14-17(3,4)21-18(5,6)15-20/h21H,8-15H2,1-7H3.
What are the key properties of 2-ethyl-4-hexyl-2,7,7,9,9-pentamethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one?
2-ethyl-4-hexyl-2,7,7,9,9-pentamethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 338.54 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-hexyl-2,7,7,9,9-pentamethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 151693263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).