16-trimethylsilyloxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one

C18H32N2O2Si — CID 618801

IUPAC16-trimethylsilyloxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
SMILESC[Si](C)(C)OC1C2CC(CN3C(=O)CCCC23)C2CCCCN21
InChIInChI=1S/C18H32N2O2Si/c1-23(2,3)22-18-14-11-13(15-7-4-5-10-19(15)18)12-20-16(14)8-6-9-17(20)21/h13-16,18H,4-12H2,1-3H3
InChIKeyURQUTTBALGFZAX-UHFFFAOYSA-N
MW336.55 g/mol
LogP3.05
Rot. Bonds2

About 16-trimethylsilyloxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one

16-trimethylsilyloxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one (PubChem CID 618801) has the molecular formula C18H32N2O2Si and a molecular weight of 336.55 g/mol. Its IUPAC name is 16-trimethylsilyloxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one.

Molecular Properties

Compound Name16-trimethylsilyloxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
PubChem CID618801
Molecular FormulaC18H32N2O2Si
Molecular Weight336.55 g/mol
Exact Mass336.22
IUPAC Name16-trimethylsilyloxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
SMILESC[Si](C)(C)OC1C2CC(CN3C(=O)CCCC23)C2CCCCN21
InChIInChI=1S/C18H32N2O2Si/c1-23(2,3)22-18-14-11-13(15-7-4-5-10-19(15)18)12-20-16(14)8-6-9-17(20)21/h13-16,18H,4-12H2,1-3H3
InChIKeyURQUTTBALGFZAX-UHFFFAOYSA-N
XLogP3.05
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.55
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R,2R,9S,10S)-16-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
CID 56927844
(1R,2R,9S,10S,16R)-16-propan-2-yl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
CID 14396427
(1R,2R,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
CID 163184988
(1R,2R,9R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
CID 134715220
(1R,2R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
CID 6101749
(1R,2S,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one;dihydrochloride
CID 76970776
(1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one;dihydrochloride
CID 72710652
(2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one;perchloric acid
CID 171154156
(2R,17R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one
CID 5271983
(1R,2R,9R,17R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one
CID 6350977
11-tert-butyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 76659535
(1S,2R,9S,10S)-12-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
CID 21139805

Frequently Asked Questions

What is the IUPAC name of 16-trimethylsilyloxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one?
The IUPAC name of 16-trimethylsilyloxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one (CID 618801) is 16-trimethylsilyloxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one.
What is the SMILES notation for 16-trimethylsilyloxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one?
The canonical SMILES for 16-trimethylsilyloxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one is C[Si](C)(C)OC1C2CC(CN3C(=O)CCCC23)C2CCCCN21.
What is the InChIKey of 16-trimethylsilyloxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one?
The InChIKey is URQUTTBALGFZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2Si/c1-23(2,3)22-18-14-11-13(15-7-4-5-10-19(15)18)12-20-16(14)8-6-9-17(20)21/h13-16,18H,4-12H2,1-3H3.
What are the key properties of 16-trimethylsilyloxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one?
16-trimethylsilyloxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one has a molecular weight of 336.55 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 16-trimethylsilyloxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one is sourced from PubChem (CID 618801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).