6-undecan-5-yl-2-oxa-6-azaspiro[3.3]heptane

C16H31NO — CID 166880859

IUPAC6-undecan-5-yl-2-oxa-6-azaspiro[3.3]heptane
SMILESCCCCCCC(CCCC)N1CC2(COC2)C1
InChIInChI=1S/C16H31NO/c1-3-5-7-8-10-15(9-6-4-2)17-11-16(12-17)13-18-14-16/h15H,3-14H2,1-2H3
InChIKeyNPBPWZVKLWJLER-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.85
Rot. Bonds9

About 6-undecan-5-yl-2-oxa-6-azaspiro[3.3]heptane

6-undecan-5-yl-2-oxa-6-azaspiro[3.3]heptane (PubChem CID 166880859) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 6-undecan-5-yl-2-oxa-6-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-undecan-5-yl-2-oxa-6-azaspiro[3.3]heptane
PubChem CID166880859
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name6-undecan-5-yl-2-oxa-6-azaspiro[3.3]heptane
SMILESCCCCCCC(CCCC)N1CC2(COC2)C1
InChIInChI=1S/C16H31NO/c1-3-5-7-8-10-15(9-6-4-2)17-11-16(12-17)13-18-14-16/h15H,3-14H2,1-2H3
InChIKeyNPBPWZVKLWJLER-UHFFFAOYSA-N
XLogP3.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 166880914
6-hexan-3-yl-2-oxa-6-azaspiro[3.3]heptane
CID 170384687
4-hexadecan-8-ylmorpholine
CID 126489366
1-hexadecan-5-ylpiperidine
CID 175488405
1-undecan-5-ylpiperidine
CID 174506253
5,9-dimethyl-7-pentadecan-8-yl-2-oxa-7-azaspiro[3.6]decane
CID 146607046
1-octadecan-4-ylaziridine
CID 87223215
3,3-dimethyl-1-pentadecan-8-ylpiperidine
CID 139447357
(3R,4R)-3,4-difluoro-1-pentadecan-8-ylpyrrolidine
CID 166714700
4-pentadecan-8-ylthiomorpholine
CID 134320979
1-decan-4-ylpiperidine
CID 142178259
3-fluoro-3-methyl-1-pentadecan-8-ylpiperidine
CID 174348955

Frequently Asked Questions

What is the IUPAC name of 6-undecan-5-yl-2-oxa-6-azaspiro[3.3]heptane?
The IUPAC name of 6-undecan-5-yl-2-oxa-6-azaspiro[3.3]heptane (CID 166880859) is 6-undecan-5-yl-2-oxa-6-azaspiro[3.3]heptane.
What is the SMILES notation for 6-undecan-5-yl-2-oxa-6-azaspiro[3.3]heptane?
The canonical SMILES for 6-undecan-5-yl-2-oxa-6-azaspiro[3.3]heptane is CCCCCCC(CCCC)N1CC2(COC2)C1.
What is the InChIKey of 6-undecan-5-yl-2-oxa-6-azaspiro[3.3]heptane?
The InChIKey is NPBPWZVKLWJLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-3-5-7-8-10-15(9-6-4-2)17-11-16(12-17)13-18-14-16/h15H,3-14H2,1-2H3.
What are the key properties of 6-undecan-5-yl-2-oxa-6-azaspiro[3.3]heptane?
6-undecan-5-yl-2-oxa-6-azaspiro[3.3]heptane has a molecular weight of 253.43 g/mol, XLogP of 3.85, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-undecan-5-yl-2-oxa-6-azaspiro[3.3]heptane is sourced from PubChem (CID 166880859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).