2,2,6-trimethyl-1-oxa-8-azacyclotetradecan-7-one

C15H29NO2 — CID 118518693

IUPAC2,2,6-trimethyl-1-oxa-8-azacyclotetradecan-7-one
SMILESCC1CCCC(C)(C)OCCCCCCNC1=O
InChIInChI=1S/C15H29NO2/c1-13-9-8-10-15(2,3)18-12-7-5-4-6-11-16-14(13)17/h13H,4-12H2,1-3H3,(H,16,17)
InChIKeyAKDGFYJLIAJJKB-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.28
Rot. Bonds

About 2,2,6-trimethyl-1-oxa-8-azacyclotetradecan-7-one

2,2,6-trimethyl-1-oxa-8-azacyclotetradecan-7-one (PubChem CID 118518693) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2,2,6-trimethyl-1-oxa-8-azacyclotetradecan-7-one.

Molecular Properties

Compound Name2,2,6-trimethyl-1-oxa-8-azacyclotetradecan-7-one
PubChem CID118518693
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2,2,6-trimethyl-1-oxa-8-azacyclotetradecan-7-one
SMILESCC1CCCC(C)(C)OCCCCCCNC1=O
InChIInChI=1S/C15H29NO2/c1-13-9-8-10-15(2,3)18-12-7-5-4-6-11-16-14(13)17/h13H,4-12H2,1-3H3,(H,16,17)
InChIKeyAKDGFYJLIAJJKB-UHFFFAOYSA-N
XLogP3.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,6-trimethyl-1-oxa-8-azacyclotetradecan-7-one?
The IUPAC name of 2,2,6-trimethyl-1-oxa-8-azacyclotetradecan-7-one (CID 118518693) is 2,2,6-trimethyl-1-oxa-8-azacyclotetradecan-7-one.
What is the SMILES notation for 2,2,6-trimethyl-1-oxa-8-azacyclotetradecan-7-one?
The canonical SMILES for 2,2,6-trimethyl-1-oxa-8-azacyclotetradecan-7-one is CC1CCCC(C)(C)OCCCCCCNC1=O.
What is the InChIKey of 2,2,6-trimethyl-1-oxa-8-azacyclotetradecan-7-one?
The InChIKey is AKDGFYJLIAJJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-13-9-8-10-15(2,3)18-12-7-5-4-6-11-16-14(13)17/h13H,4-12H2,1-3H3,(H,16,17).
What are the key properties of 2,2,6-trimethyl-1-oxa-8-azacyclotetradecan-7-one?
2,2,6-trimethyl-1-oxa-8-azacyclotetradecan-7-one has a molecular weight of 255.40 g/mol, XLogP of 3.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6-trimethyl-1-oxa-8-azacyclotetradecan-7-one is sourced from PubChem (CID 118518693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).