(1R,3S,5R,8R,9S,13R,14R)-1,4,4,8-tetramethyl-11-phenyl-14-trimethylsilyl-11-azapentacyclo[6.5.1.13,5.02,7.09,13]pentadec-2(7)-ene-10,12-dione

C27H35NO2Si — CID 125033519

IUPAC(1R,3S,5R,8R,9S,13R,14R)-1,4,4,8-tetramethyl-11-phenyl-14-trimethylsilyl-11-azapentacyclo[6.5.1.13,5.02,7.09,13]pentadec-2(7)-ene-10,12-dione
SMILESCC1(C)[C@H]2CC3=C([C@H]1C2)[C@]1(C)[C@H]([Si](C)(C)C)[C@]3(C)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21
InChIInChI=1S/C27H35NO2Si/c1-25(2)15-13-17(25)19-18(14-15)26(3)20-21(27(19,4)24(26)31(5,6)7)23(30)28(22(20)29)16-11-9-8-10-12-16/h8-12,15,17,20-21,24H,13-14H2,1-7H3/t15-,17-,20-,21+,24-,26+,27+/m1/s1
InChIKeyBYKMOYRAJUZBKE-SJGLQHIESA-N
MW433.67 g/mol
LogP5.90
Rot. Bonds2

About (1R,3S,5R,8R,9S,13R,14R)-1,4,4,8-tetramethyl-11-phenyl-14-trimethylsilyl-11-azapentacyclo[6.5.1.13,5.02,7.09,13]pentadec-2(7)-ene-10,12-dione

(1R,3S,5R,8R,9S,13R,14R)-1,4,4,8-tetramethyl-11-phenyl-14-trimethylsilyl-11-azapentacyclo[6.5.1.13,5.02,7.09,13]pentadec-2(7)-ene-10,12-dione (PubChem CID 125033519) has the molecular formula C27H35NO2Si and a molecular weight of 433.67 g/mol. Its IUPAC name is (1R,3S,5R,8R,9S,13R,14R)-1,4,4,8-tetramethyl-11-phenyl-14-trimethylsilyl-11-azapentacyclo[6.5.1.13,5.02,7.09,13]pentadec-2(7)-ene-10,12-dione.

Molecular Properties

Compound Name(1R,3S,5R,8R,9S,13R,14R)-1,4,4,8-tetramethyl-11-phenyl-14-trimethylsilyl-11-azapentacyclo[6.5.1.13,5.02,7.09,13]pentadec-2(7)-ene-10,12-dione
PubChem CID125033519
Molecular FormulaC27H35NO2Si
Molecular Weight433.67 g/mol
Exact Mass433.24
IUPAC Name(1R,3S,5R,8R,9S,13R,14R)-1,4,4,8-tetramethyl-11-phenyl-14-trimethylsilyl-11-azapentacyclo[6.5.1.13,5.02,7.09,13]pentadec-2(7)-ene-10,12-dione
SMILESCC1(C)[C@H]2CC3=C([C@H]1C2)[C@]1(C)[C@H]([Si](C)(C)C)[C@]3(C)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21
InChIInChI=1S/C27H35NO2Si/c1-25(2)15-13-17(25)19-18(14-15)26(3)20-21(27(19,4)24(26)31(5,6)7)23(30)28(22(20)29)16-11-9-8-10-12-16/h8-12,15,17,20-21,24H,13-14H2,1-7H3/t15-,17-,20-,21+,24-,26+,27+/m1/s1
InChIKeyBYKMOYRAJUZBKE-SJGLQHIESA-N
XLogP5.90
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.67
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,3S,5R,8R,9S,13R,14R)-1,4,4,8-tetramethyl-11-phenyl-14-trimethylsilyl-11-azapentacyclo[6.5.1.13,5.02,7.09,13]pentadec-2(7)-ene-10,12-dione with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1R,3S,5R,8R,9S,13R,14R)-1,4,4,8-tetramethyl-11-phenyl-14-trimethylsilyl-11-azapentacyclo[6.5.1.13,5.02,7.09,13]pentadec-2(7)-ene-10,12-dione?
The IUPAC name of (1R,3S,5R,8R,9S,13R,14R)-1,4,4,8-tetramethyl-11-phenyl-14-trimethylsilyl-11-azapentacyclo[6.5.1.13,5.02,7.09,13]pentadec-2(7)-ene-10,12-dione (CID 125033519) is (1R,3S,5R,8R,9S,13R,14R)-1,4,4,8-tetramethyl-11-phenyl-14-trimethylsilyl-11-azapentacyclo[6.5.1.13,5.02,7.09,13]pentadec-2(7)-ene-10,12-dione.
What is the SMILES notation for (1R,3S,5R,8R,9S,13R,14R)-1,4,4,8-tetramethyl-11-phenyl-14-trimethylsilyl-11-azapentacyclo[6.5.1.13,5.02,7.09,13]pentadec-2(7)-ene-10,12-dione?
The canonical SMILES for (1R,3S,5R,8R,9S,13R,14R)-1,4,4,8-tetramethyl-11-phenyl-14-trimethylsilyl-11-azapentacyclo[6.5.1.13,5.02,7.09,13]pentadec-2(7)-ene-10,12-dione is CC1(C)[C@H]2CC3=C([C@H]1C2)[C@]1(C)[C@H]([Si](C)(C)C)[C@]3(C)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21.
What is the InChIKey of (1R,3S,5R,8R,9S,13R,14R)-1,4,4,8-tetramethyl-11-phenyl-14-trimethylsilyl-11-azapentacyclo[6.5.1.13,5.02,7.09,13]pentadec-2(7)-ene-10,12-dione?
The InChIKey is BYKMOYRAJUZBKE-SJGLQHIESA-N. The full InChI is InChI=1S/C27H35NO2Si/c1-25(2)15-13-17(25)19-18(14-15)26(3)20-21(27(19,4)24(26)31(5,6)7)23(30)28(22(20)29)16-11-9-8-10-12-16/h8-12,15,17,20-21,24H,13-14H2,1-7H3/t15-,17-,20-,21+,24-,26+,27+/m1/s1.
What are the key properties of (1R,3S,5R,8R,9S,13R,14R)-1,4,4,8-tetramethyl-11-phenyl-14-trimethylsilyl-11-azapentacyclo[6.5.1.13,5.02,7.09,13]pentadec-2(7)-ene-10,12-dione?
(1R,3S,5R,8R,9S,13R,14R)-1,4,4,8-tetramethyl-11-phenyl-14-trimethylsilyl-11-azapentacyclo[6.5.1.13,5.02,7.09,13]pentadec-2(7)-ene-10,12-dione has a molecular weight of 433.67 g/mol, XLogP of 5.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,5R,8R,9S,13R,14R)-1,4,4,8-tetramethyl-11-phenyl-14-trimethylsilyl-11-azapentacyclo[6.5.1.13,5.02,7.09,13]pentadec-2(7)-ene-10,12-dione is sourced from PubChem (CID 125033519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).