(1R,2R,10S,13S,15S)-15-methyl-6-azoniatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one

C16H26NO+ — CID 11880716

IUPAC(1R,2R,10S,13S,15S)-15-methyl-6-azoniatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one
SMILESC[C@H]1C[C@H]2CC(=O)[C@H]3CCC[NH+]4CCC[C@H]2[C@]34C1
InChIInChI=1S/C16H25NO/c1-11-8-12-9-15(18)14-5-3-7-17-6-2-4-13(12)16(14,17)10-11/h11-14H,2-10H2,1H3/p+1/t11-,12-,13+,14+,16+/m0/s1
InChIKeyBCZFSDNVXODRAJ-ZHMBSYLPSA-O
MW248.39 g/mol
LogP1.45
Rot. Bonds

About (1R,2R,10S,13S,15S)-15-methyl-6-azoniatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one

(1R,2R,10S,13S,15S)-15-methyl-6-azoniatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one (PubChem CID 11880716) has the molecular formula C16H26NO+ and a molecular weight of 248.39 g/mol. Its IUPAC name is (1R,2R,10S,13S,15S)-15-methyl-6-azoniatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one.

Molecular Properties

Compound Name(1R,2R,10S,13S,15S)-15-methyl-6-azoniatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one
PubChem CID11880716
Molecular FormulaC16H26NO+
Molecular Weight248.39 g/mol
Exact Mass248.20
IUPAC Name(1R,2R,10S,13S,15S)-15-methyl-6-azoniatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one
SMILESC[C@H]1C[C@H]2CC(=O)[C@H]3CCC[NH+]4CCC[C@H]2[C@]34C1
InChIInChI=1S/C16H25NO/c1-11-8-12-9-15(18)14-5-3-7-17-6-2-4-13(12)16(14,17)10-11/h11-14H,2-10H2,1H3/p+1/t11-,12-,13+,14+,16+/m0/s1
InChIKeyBCZFSDNVXODRAJ-ZHMBSYLPSA-O
XLogP1.45
TPSA21.51 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,10S,13S,15S)-15-methyl-6-azoniatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one?
The IUPAC name of (1R,2R,10S,13S,15S)-15-methyl-6-azoniatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one (CID 11880716) is (1R,2R,10S,13S,15S)-15-methyl-6-azoniatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one.
What is the SMILES notation for (1R,2R,10S,13S,15S)-15-methyl-6-azoniatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one?
The canonical SMILES for (1R,2R,10S,13S,15S)-15-methyl-6-azoniatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one is C[C@H]1C[C@H]2CC(=O)[C@H]3CCC[NH+]4CCC[C@H]2[C@]34C1.
What is the InChIKey of (1R,2R,10S,13S,15S)-15-methyl-6-azoniatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one?
The InChIKey is BCZFSDNVXODRAJ-ZHMBSYLPSA-O. The full InChI is InChI=1S/C16H25NO/c1-11-8-12-9-15(18)14-5-3-7-17-6-2-4-13(12)16(14,17)10-11/h11-14H,2-10H2,1H3/p+1/t11-,12-,13+,14+,16+/m0/s1.
What are the key properties of (1R,2R,10S,13S,15S)-15-methyl-6-azoniatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one?
(1R,2R,10S,13S,15S)-15-methyl-6-azoniatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one has a molecular weight of 248.39 g/mol, XLogP of 1.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,10S,13S,15S)-15-methyl-6-azoniatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one is sourced from PubChem (CID 11880716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).