11,15,15-trimethyl-1-oxa-8-azacyclopentadecan-9-one

C16H31NO2 — CID 118518696

IUPAC11,15,15-trimethyl-1-oxa-8-azacyclopentadecan-9-one
SMILESCC1CCCC(C)(C)OCCCCCCNC(=O)C1
InChIInChI=1S/C16H31NO2/c1-14-9-8-10-16(2,3)19-12-7-5-4-6-11-17-15(18)13-14/h14H,4-13H2,1-3H3,(H,17,18)
InChIKeyAIFVQMGFRLCHAS-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.67
Rot. Bonds

About 11,15,15-trimethyl-1-oxa-8-azacyclopentadecan-9-one

11,15,15-trimethyl-1-oxa-8-azacyclopentadecan-9-one (PubChem CID 118518696) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 11,15,15-trimethyl-1-oxa-8-azacyclopentadecan-9-one.

Molecular Properties

Compound Name11,15,15-trimethyl-1-oxa-8-azacyclopentadecan-9-one
PubChem CID118518696
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name11,15,15-trimethyl-1-oxa-8-azacyclopentadecan-9-one
SMILESCC1CCCC(C)(C)OCCCCCCNC(=O)C1
InChIInChI=1S/C16H31NO2/c1-14-9-8-10-16(2,3)19-12-7-5-4-6-11-17-15(18)13-14/h14H,4-13H2,1-3H3,(H,17,18)
InChIKeyAIFVQMGFRLCHAS-UHFFFAOYSA-N
XLogP3.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 11,15,15-trimethyl-1-oxa-8-azacyclopentadecan-9-one?
The IUPAC name of 11,15,15-trimethyl-1-oxa-8-azacyclopentadecan-9-one (CID 118518696) is 11,15,15-trimethyl-1-oxa-8-azacyclopentadecan-9-one.
What is the SMILES notation for 11,15,15-trimethyl-1-oxa-8-azacyclopentadecan-9-one?
The canonical SMILES for 11,15,15-trimethyl-1-oxa-8-azacyclopentadecan-9-one is CC1CCCC(C)(C)OCCCCCCNC(=O)C1.
What is the InChIKey of 11,15,15-trimethyl-1-oxa-8-azacyclopentadecan-9-one?
The InChIKey is AIFVQMGFRLCHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-14-9-8-10-16(2,3)19-12-7-5-4-6-11-17-15(18)13-14/h14H,4-13H2,1-3H3,(H,17,18).
What are the key properties of 11,15,15-trimethyl-1-oxa-8-azacyclopentadecan-9-one?
11,15,15-trimethyl-1-oxa-8-azacyclopentadecan-9-one has a molecular weight of 269.43 g/mol, XLogP of 3.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11,15,15-trimethyl-1-oxa-8-azacyclopentadecan-9-one is sourced from PubChem (CID 118518696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).