(1R,3R,8R,9S,10R,12R)-10-[tert-butyl(dimethyl)silyl]oxy-5,14-dimethyl-5-azatetracyclo[7.7.0.01,12.03,8]hexadec-14-en-16-one

C23H39NO2Si — CID 102210806

IUPAC(1R,3R,8R,9S,10R,12R)-10-[tert-butyl(dimethyl)silyl]oxy-5,14-dimethyl-5-azatetracyclo[7.7.0.01,12.03,8]hexadec-14-en-16-one
SMILESCC1=CC(=O)[C@@]23C[C@H]4CN(C)CC[C@H]4[C@@H]2[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]3C1
InChIInChI=1S/C23H39NO2Si/c1-15-10-17-12-19(26-27(6,7)22(2,3)4)21-18-8-9-24(5)14-16(18)13-23(17,21)20(25)11-15/h11,16-19,21H,8-10,12-14H2,1-7H3/t16-,17+,18+,19+,21+,23-/m0/s1
InChIKeyOFZKGIJXXBSJQO-YUCZPFRGSA-N
MW389.66 g/mol
LogP4.89
Rot. Bonds2

About (1R,3R,8R,9S,10R,12R)-10-[tert-butyl(dimethyl)silyl]oxy-5,14-dimethyl-5-azatetracyclo[7.7.0.01,12.03,8]hexadec-14-en-16-one

(1R,3R,8R,9S,10R,12R)-10-[tert-butyl(dimethyl)silyl]oxy-5,14-dimethyl-5-azatetracyclo[7.7.0.01,12.03,8]hexadec-14-en-16-one (PubChem CID 102210806) has the molecular formula C23H39NO2Si and a molecular weight of 389.66 g/mol. Its IUPAC name is (1R,3R,8R,9S,10R,12R)-10-[tert-butyl(dimethyl)silyl]oxy-5,14-dimethyl-5-azatetracyclo[7.7.0.01,12.03,8]hexadec-14-en-16-one.

Molecular Properties

Compound Name(1R,3R,8R,9S,10R,12R)-10-[tert-butyl(dimethyl)silyl]oxy-5,14-dimethyl-5-azatetracyclo[7.7.0.01,12.03,8]hexadec-14-en-16-one
PubChem CID102210806
Molecular FormulaC23H39NO2Si
Molecular Weight389.66 g/mol
Exact Mass389.28
IUPAC Name(1R,3R,8R,9S,10R,12R)-10-[tert-butyl(dimethyl)silyl]oxy-5,14-dimethyl-5-azatetracyclo[7.7.0.01,12.03,8]hexadec-14-en-16-one
SMILESCC1=CC(=O)[C@@]23C[C@H]4CN(C)CC[C@H]4[C@@H]2[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]3C1
InChIInChI=1S/C23H39NO2Si/c1-15-10-17-12-19(26-27(6,7)22(2,3)4)21-18-8-9-24(5)14-16(18)13-23(17,21)20(25)11-15/h11,16-19,21H,8-10,12-14H2,1-7H3/t16-,17+,18+,19+,21+,23-/m0/s1
InChIKeyOFZKGIJXXBSJQO-YUCZPFRGSA-N
XLogP4.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.66
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R,3R,8R,9S,10R,12R)-10-[tert-butyl(dimethyl)silyl]oxy-5,14-dimethyl-5-azatetracyclo[7.7.0.01,12.03,8]hexadec-14-en-16-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,3R,8R,9S,10R,12R)-10-[tert-butyl(dimethyl)silyl]oxy-5,14-dimethyl-5-azatetracyclo[7.7.0.01,12.03,8]hexadec-14-en-16-one?
The IUPAC name of (1R,3R,8R,9S,10R,12R)-10-[tert-butyl(dimethyl)silyl]oxy-5,14-dimethyl-5-azatetracyclo[7.7.0.01,12.03,8]hexadec-14-en-16-one (CID 102210806) is (1R,3R,8R,9S,10R,12R)-10-[tert-butyl(dimethyl)silyl]oxy-5,14-dimethyl-5-azatetracyclo[7.7.0.01,12.03,8]hexadec-14-en-16-one.
What is the SMILES notation for (1R,3R,8R,9S,10R,12R)-10-[tert-butyl(dimethyl)silyl]oxy-5,14-dimethyl-5-azatetracyclo[7.7.0.01,12.03,8]hexadec-14-en-16-one?
The canonical SMILES for (1R,3R,8R,9S,10R,12R)-10-[tert-butyl(dimethyl)silyl]oxy-5,14-dimethyl-5-azatetracyclo[7.7.0.01,12.03,8]hexadec-14-en-16-one is CC1=CC(=O)[C@@]23C[C@H]4CN(C)CC[C@H]4[C@@H]2[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]3C1.
What is the InChIKey of (1R,3R,8R,9S,10R,12R)-10-[tert-butyl(dimethyl)silyl]oxy-5,14-dimethyl-5-azatetracyclo[7.7.0.01,12.03,8]hexadec-14-en-16-one?
The InChIKey is OFZKGIJXXBSJQO-YUCZPFRGSA-N. The full InChI is InChI=1S/C23H39NO2Si/c1-15-10-17-12-19(26-27(6,7)22(2,3)4)21-18-8-9-24(5)14-16(18)13-23(17,21)20(25)11-15/h11,16-19,21H,8-10,12-14H2,1-7H3/t16-,17+,18+,19+,21+,23-/m0/s1.
What are the key properties of (1R,3R,8R,9S,10R,12R)-10-[tert-butyl(dimethyl)silyl]oxy-5,14-dimethyl-5-azatetracyclo[7.7.0.01,12.03,8]hexadec-14-en-16-one?
(1R,3R,8R,9S,10R,12R)-10-[tert-butyl(dimethyl)silyl]oxy-5,14-dimethyl-5-azatetracyclo[7.7.0.01,12.03,8]hexadec-14-en-16-one has a molecular weight of 389.66 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,8R,9S,10R,12R)-10-[tert-butyl(dimethyl)silyl]oxy-5,14-dimethyl-5-azatetracyclo[7.7.0.01,12.03,8]hexadec-14-en-16-one is sourced from PubChem (CID 102210806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).