7-(3,3-dimethylcyclododecyl)-5,7,9,9,10,10-hexamethyl-2-oxa-5-azaspiro[3.6]decane

C28H53NO — CID 167156556

IUPAC7-(3,3-dimethylcyclododecyl)-5,7,9,9,10,10-hexamethyl-2-oxa-5-azaspiro[3.6]decane
SMILESCN1CC(C)(C2CCCCCCCCCC(C)(C)C2)CC(C)(C)C(C)(C)C12COC2
InChIInChI=1S/C28H53NO/c1-24(2)17-15-13-11-9-10-12-14-16-23(18-24)27(7)19-25(3,4)26(5,6)28(21-30-22-28)29(8)20-27/h23H,9-22H2,1-8H3
InChIKeyRTNVAXASJSAQQX-UHFFFAOYSA-N
MW419.74 g/mol
LogP7.71
Rot. Bonds1

About 7-(3,3-dimethylcyclododecyl)-5,7,9,9,10,10-hexamethyl-2-oxa-5-azaspiro[3.6]decane

7-(3,3-dimethylcyclododecyl)-5,7,9,9,10,10-hexamethyl-2-oxa-5-azaspiro[3.6]decane (PubChem CID 167156556) has the molecular formula C28H53NO and a molecular weight of 419.74 g/mol. Its IUPAC name is 7-(3,3-dimethylcyclododecyl)-5,7,9,9,10,10-hexamethyl-2-oxa-5-azaspiro[3.6]decane.

Molecular Properties

Compound Name7-(3,3-dimethylcyclododecyl)-5,7,9,9,10,10-hexamethyl-2-oxa-5-azaspiro[3.6]decane
PubChem CID167156556
Molecular FormulaC28H53NO
Molecular Weight419.74 g/mol
Exact Mass419.41
IUPAC Name7-(3,3-dimethylcyclododecyl)-5,7,9,9,10,10-hexamethyl-2-oxa-5-azaspiro[3.6]decane
SMILESCN1CC(C)(C2CCCCCCCCCC(C)(C)C2)CC(C)(C)C(C)(C)C12COC2
InChIInChI=1S/C28H53NO/c1-24(2)17-15-13-11-9-10-12-14-16-23(18-24)27(7)19-25(3,4)26(5,6)28(21-30-22-28)29(8)20-27/h23H,9-22H2,1-8H3
InChIKeyRTNVAXASJSAQQX-UHFFFAOYSA-N
XLogP7.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.74
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-(3,3-dimethylcyclododecyl)-5,7,9,9,10,10-hexamethyl-2-oxa-5-azaspiro[3.6]decane with MolForge

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Related Compounds

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CID 162435864
(1-methylcyclopentyl)cyclohexane
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1,1,7,7-tetramethylcyclopentadecane
CID 123360096
1,1-dimethylcyclononane
CID 59289773
cyclopropane;hexakis(1,3-dimethylbicyclo[1.1.0]butane);1,1-dimethylcyclopropane;ethane;bis(1-methylbicyclo[1.1.0]butane)
CID 160943515
4-cyclohexyl-4-methyloxane
CID 58667675
5-cyclohexyl-5-methyl-1,3-dioxane
CID 70232095
2-cyclohexyl-2-methylspiro[2.5]octane;ethane
CID 145105367
3,3,5,6,6,8,8-heptamethyl-1,5-oxazonane
CID 123660579
2,2,4,4-tetramethylcyclooctane-1-thiol
CID 89408985
2-cyclopentyl-1,2-dimethylpyrrolidine
CID 70478641
1,1-dimethylcyclohexane;methane
CID 160770296

Frequently Asked Questions

What is the IUPAC name of 7-(3,3-dimethylcyclododecyl)-5,7,9,9,10,10-hexamethyl-2-oxa-5-azaspiro[3.6]decane?
The IUPAC name of 7-(3,3-dimethylcyclododecyl)-5,7,9,9,10,10-hexamethyl-2-oxa-5-azaspiro[3.6]decane (CID 167156556) is 7-(3,3-dimethylcyclododecyl)-5,7,9,9,10,10-hexamethyl-2-oxa-5-azaspiro[3.6]decane.
What is the SMILES notation for 7-(3,3-dimethylcyclododecyl)-5,7,9,9,10,10-hexamethyl-2-oxa-5-azaspiro[3.6]decane?
The canonical SMILES for 7-(3,3-dimethylcyclododecyl)-5,7,9,9,10,10-hexamethyl-2-oxa-5-azaspiro[3.6]decane is CN1CC(C)(C2CCCCCCCCCC(C)(C)C2)CC(C)(C)C(C)(C)C12COC2.
What is the InChIKey of 7-(3,3-dimethylcyclododecyl)-5,7,9,9,10,10-hexamethyl-2-oxa-5-azaspiro[3.6]decane?
The InChIKey is RTNVAXASJSAQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H53NO/c1-24(2)17-15-13-11-9-10-12-14-16-23(18-24)27(7)19-25(3,4)26(5,6)28(21-30-22-28)29(8)20-27/h23H,9-22H2,1-8H3.
What are the key properties of 7-(3,3-dimethylcyclododecyl)-5,7,9,9,10,10-hexamethyl-2-oxa-5-azaspiro[3.6]decane?
7-(3,3-dimethylcyclododecyl)-5,7,9,9,10,10-hexamethyl-2-oxa-5-azaspiro[3.6]decane has a molecular weight of 419.74 g/mol, XLogP of 7.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,3-dimethylcyclododecyl)-5,7,9,9,10,10-hexamethyl-2-oxa-5-azaspiro[3.6]decane is sourced from PubChem (CID 167156556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).