ethyl (8R,10R)-8-hexyl-1,5-dioxa-9-azaspiro[5.5]undecane-10-carboxylate

C17H31NO4 — CID 101077072

IUPACethyl (8R,10R)-8-hexyl-1,5-dioxa-9-azaspiro[5.5]undecane-10-carboxylate
SMILESCCCCCC[C@@H]1CC2(C[C@H](C(=O)OCC)N1)OCCCO2
InChIInChI=1S/C17H31NO4/c1-3-5-6-7-9-14-12-17(21-10-8-11-22-17)13-15(18-14)16(19)20-4-2/h14-15,18H,3-13H2,1-2H3/t14-,15-/m1/s1
InChIKeyBEMOKWOIQQXBKF-HUUCEWRRSA-N
MW313.44 g/mol
LogP2.77
Rot. Bonds7

About ethyl (8R,10R)-8-hexyl-1,5-dioxa-9-azaspiro[5.5]undecane-10-carboxylate

ethyl (8R,10R)-8-hexyl-1,5-dioxa-9-azaspiro[5.5]undecane-10-carboxylate (PubChem CID 101077072) has the molecular formula C17H31NO4 and a molecular weight of 313.44 g/mol. Its IUPAC name is ethyl (8R,10R)-8-hexyl-1,5-dioxa-9-azaspiro[5.5]undecane-10-carboxylate.

Molecular Properties

Compound Nameethyl (8R,10R)-8-hexyl-1,5-dioxa-9-azaspiro[5.5]undecane-10-carboxylate
PubChem CID101077072
Molecular FormulaC17H31NO4
Molecular Weight313.44 g/mol
Exact Mass313.23
IUPAC Nameethyl (8R,10R)-8-hexyl-1,5-dioxa-9-azaspiro[5.5]undecane-10-carboxylate
SMILESCCCCCC[C@@H]1CC2(C[C@H](C(=O)OCC)N1)OCCCO2
InChIInChI=1S/C17H31NO4/c1-3-5-6-7-9-14-12-17(21-10-8-11-22-17)13-15(18-14)16(19)20-4-2/h14-15,18H,3-13H2,1-2H3/t14-,15-/m1/s1
InChIKeyBEMOKWOIQQXBKF-HUUCEWRRSA-N
XLogP2.77
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl (8R,10R)-8-hexyl-1,5-dioxa-9-azaspiro[5.5]undecane-10-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (7S,9S)-9-propyl-1,4-dithia-8-azaspiro[4.5]decane-7-carboxylate
CID 11460456
ethyl 5,8-dioxaspiro[3.4]octane-2-carboxylate
CID 86713762
ethyl acetate;hexylcyclohexane
CID 23285784
ethyl 2-pentyl-1,3-thiazolidine-4-carboxylate
CID 71371906
ethyl 5-(hydroxymethyl)pyrrolidine-2-carboxylate
CID 117273935
6-octylpiperidine-2-carboxylic acid
CID 112574283
ethyl 2,3-dihexylcyclopropane-1-carboxylate
CID 101157938
ethyl 2-(9-hexyl-1,4-dioxaspiro[4.4]nonan-8-yl)acetate
CID 139765484
5-heptylpyrrolidine-2-carboxylic acid
CID 112574667
ethyl 3,5-diheptyloxolane-2-carboxylate
CID 18988253
ethyl (4S,6R)-1,7-dioxaspiro[5.5]undecane-4-carboxylate
CID 101378578
ethyl (2S,3S,6R)-2-(3-hydroxypropyl)-6-pentylpiperidine-3-carboxylate
CID 11335133

Frequently Asked Questions

What is the IUPAC name of ethyl (8R,10R)-8-hexyl-1,5-dioxa-9-azaspiro[5.5]undecane-10-carboxylate?
The IUPAC name of ethyl (8R,10R)-8-hexyl-1,5-dioxa-9-azaspiro[5.5]undecane-10-carboxylate (CID 101077072) is ethyl (8R,10R)-8-hexyl-1,5-dioxa-9-azaspiro[5.5]undecane-10-carboxylate.
What is the SMILES notation for ethyl (8R,10R)-8-hexyl-1,5-dioxa-9-azaspiro[5.5]undecane-10-carboxylate?
The canonical SMILES for ethyl (8R,10R)-8-hexyl-1,5-dioxa-9-azaspiro[5.5]undecane-10-carboxylate is CCCCCC[C@@H]1CC2(C[C@H](C(=O)OCC)N1)OCCCO2.
What is the InChIKey of ethyl (8R,10R)-8-hexyl-1,5-dioxa-9-azaspiro[5.5]undecane-10-carboxylate?
The InChIKey is BEMOKWOIQQXBKF-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H31NO4/c1-3-5-6-7-9-14-12-17(21-10-8-11-22-17)13-15(18-14)16(19)20-4-2/h14-15,18H,3-13H2,1-2H3/t14-,15-/m1/s1.
What are the key properties of ethyl (8R,10R)-8-hexyl-1,5-dioxa-9-azaspiro[5.5]undecane-10-carboxylate?
ethyl (8R,10R)-8-hexyl-1,5-dioxa-9-azaspiro[5.5]undecane-10-carboxylate has a molecular weight of 313.44 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (8R,10R)-8-hexyl-1,5-dioxa-9-azaspiro[5.5]undecane-10-carboxylate is sourced from PubChem (CID 101077072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).