formic acid;3,3,8,8,10,10-hexamethyl-9-(1-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane

C23H37NO5 — CID 142146379

IUPACformic acid;3,3,8,8,10,10-hexamethyl-9-(1-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane
SMILESCC(ON1C(C)(C)CC2(CC1(C)C)OCC(C)(C)CO2)c1ccccc1.O=CO
InChIInChI=1S/C22H35NO3.CH2O2/c1-17(18-11-9-8-10-12-18)26-23-20(4,5)13-22(14-21(23,6)7)24-15-19(2,3)16-25-22;2-1-3/h8-12,17H,13-16H2,1-7H3;1H,(H,2,3)
InChIKeySTASXRZVTSPOTL-UHFFFAOYSA-N
MW407.55 g/mol
LogP4.80
Rot. Bonds3

About formic acid;3,3,8,8,10,10-hexamethyl-9-(1-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane

formic acid;3,3,8,8,10,10-hexamethyl-9-(1-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane (PubChem CID 142146379) has the molecular formula C23H37NO5 and a molecular weight of 407.55 g/mol. Its IUPAC name is formic acid;3,3,8,8,10,10-hexamethyl-9-(1-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Nameformic acid;3,3,8,8,10,10-hexamethyl-9-(1-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane
PubChem CID142146379
Molecular FormulaC23H37NO5
Molecular Weight407.55 g/mol
Exact Mass407.27
IUPAC Nameformic acid;3,3,8,8,10,10-hexamethyl-9-(1-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane
SMILESCC(ON1C(C)(C)CC2(CC1(C)C)OCC(C)(C)CO2)c1ccccc1.O=CO
InChIInChI=1S/C22H35NO3.CH2O2/c1-17(18-11-9-8-10-12-18)26-23-20(4,5)13-22(14-21(23,6)7)24-15-19(2,3)16-25-22;2-1-3/h8-12,17H,13-16H2,1-7H3;1H,(H,2,3)
InChIKeySTASXRZVTSPOTL-UHFFFAOYSA-N
XLogP4.80
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.55
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8,10-diethyl-3,3,8,10-tetramethyl-9-(1-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane
CID 59554000
3-ethyl-3-[6-[[3-ethyl-8,8,10,10-tetramethyl-9-(1-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl]methoxy]hexoxymethyl]-8,8,10,10-tetramethyl-9-(1-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane
CID 58668853
bis[[7,7,9,9-tetramethyl-8-(1-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methyl] octanedioate
CID 58982360
2,2,4,4,14,14,16,16-octamethyl-3,15-bis[1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-7,11,18,21-tetraoxa-3,15-diazatrispiro[5.2.2.512.29.26]henicosane
CID 58759284
2,2,6,6-tetramethyl-4-nitroso-1-(1-phenylethoxy)piperidine
CID 91502421
dimethyl (2R,6R)-2,6-dimethyl-1-(1-phenylethoxy)piperidine-2,6-dicarboxylate
CID 101274504
[3,8,8,10,10-pentamethyl-9-[1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl]methyl acetate
CID 58759293
2',2'-diethyl-6',6'-dimethyl-1'-(1-phenylethoxy)spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,4'-piperidine]
CID 58982491
tris[2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] phosphite
CID 54125950
2,2,5-trimethyl-5-phenyl-1-(1-phenylethoxy)pyrrolidine
CID 71391438
4-ethoxy-2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidine
CID 89097657
bis[[3,8,8,10,10-pentamethyl-9-[1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl]methyl] octanedioate
CID 58759297

Frequently Asked Questions

What is the IUPAC name of formic acid;3,3,8,8,10,10-hexamethyl-9-(1-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane?
The IUPAC name of formic acid;3,3,8,8,10,10-hexamethyl-9-(1-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane (CID 142146379) is formic acid;3,3,8,8,10,10-hexamethyl-9-(1-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for formic acid;3,3,8,8,10,10-hexamethyl-9-(1-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane?
The canonical SMILES for formic acid;3,3,8,8,10,10-hexamethyl-9-(1-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane is CC(ON1C(C)(C)CC2(CC1(C)C)OCC(C)(C)CO2)c1ccccc1.O=CO.
What is the InChIKey of formic acid;3,3,8,8,10,10-hexamethyl-9-(1-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane?
The InChIKey is STASXRZVTSPOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35NO3.CH2O2/c1-17(18-11-9-8-10-12-18)26-23-20(4,5)13-22(14-21(23,6)7)24-15-19(2,3)16-25-22;2-1-3/h8-12,17H,13-16H2,1-7H3;1H,(H,2,3).
What are the key properties of formic acid;3,3,8,8,10,10-hexamethyl-9-(1-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane?
formic acid;3,3,8,8,10,10-hexamethyl-9-(1-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane has a molecular weight of 407.55 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;3,3,8,8,10,10-hexamethyl-9-(1-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 142146379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).