(7S,8S,15S)-5,5-dimethyl-6,9-dioxa-11-aza-5-silatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2-dien-10-one

C13H17NO3Si — CID 11492657

IUPAC(7S,8S,15S)-5,5-dimethyl-6,9-dioxa-11-aza-5-silatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2-dien-10-one
SMILESC[Si]1(C)CC=C2C3=CCCN4C(=O)O[C@H]([C@H]2O1)[C@H]34
InChIInChI=1S/C13H17NO3Si/c1-18(2)7-5-9-8-4-3-6-14-10(8)12(11(9)17-18)16-13(14)15/h4-5,10-12H,3,6-7H2,1-2H3/t10-,11-,12-/m0/s1
InChIKeyAUFHQMVELXWGPU-SRVKXCTJSA-N
MW263.37 g/mol
LogP2.05
Rot. Bonds

About (7S,8S,15S)-5,5-dimethyl-6,9-dioxa-11-aza-5-silatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2-dien-10-one

(7S,8S,15S)-5,5-dimethyl-6,9-dioxa-11-aza-5-silatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2-dien-10-one (PubChem CID 11492657) has the molecular formula C13H17NO3Si and a molecular weight of 263.37 g/mol. Its IUPAC name is (7S,8S,15S)-5,5-dimethyl-6,9-dioxa-11-aza-5-silatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2-dien-10-one.

Molecular Properties

Compound Name(7S,8S,15S)-5,5-dimethyl-6,9-dioxa-11-aza-5-silatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2-dien-10-one
PubChem CID11492657
Molecular FormulaC13H17NO3Si
Molecular Weight263.37 g/mol
Exact Mass263.10
IUPAC Name(7S,8S,15S)-5,5-dimethyl-6,9-dioxa-11-aza-5-silatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2-dien-10-one
SMILESC[Si]1(C)CC=C2C3=CCCN4C(=O)O[C@H]([C@H]2O1)[C@H]34
InChIInChI=1S/C13H17NO3Si/c1-18(2)7-5-9-8-4-3-6-14-10(8)12(11(9)17-18)16-13(14)15/h4-5,10-12H,3,6-7H2,1-2H3/t10-,11-,12-/m0/s1
InChIKeyAUFHQMVELXWGPU-SRVKXCTJSA-N
XLogP2.05
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (7S,8S,15S)-5,5-dimethyl-6,9-dioxa-11-aza-5-silatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2-dien-10-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7S,8S,15S)-5,5-dimethyl-6,9-dioxa-11-aza-5-silatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2-dien-10-one?
The IUPAC name of (7S,8S,15S)-5,5-dimethyl-6,9-dioxa-11-aza-5-silatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2-dien-10-one (CID 11492657) is (7S,8S,15S)-5,5-dimethyl-6,9-dioxa-11-aza-5-silatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2-dien-10-one.
What is the SMILES notation for (7S,8S,15S)-5,5-dimethyl-6,9-dioxa-11-aza-5-silatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2-dien-10-one?
The canonical SMILES for (7S,8S,15S)-5,5-dimethyl-6,9-dioxa-11-aza-5-silatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2-dien-10-one is C[Si]1(C)CC=C2C3=CCCN4C(=O)O[C@H]([C@H]2O1)[C@H]34.
What is the InChIKey of (7S,8S,15S)-5,5-dimethyl-6,9-dioxa-11-aza-5-silatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2-dien-10-one?
The InChIKey is AUFHQMVELXWGPU-SRVKXCTJSA-N. The full InChI is InChI=1S/C13H17NO3Si/c1-18(2)7-5-9-8-4-3-6-14-10(8)12(11(9)17-18)16-13(14)15/h4-5,10-12H,3,6-7H2,1-2H3/t10-,11-,12-/m0/s1.
What are the key properties of (7S,8S,15S)-5,5-dimethyl-6,9-dioxa-11-aza-5-silatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2-dien-10-one?
(7S,8S,15S)-5,5-dimethyl-6,9-dioxa-11-aza-5-silatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2-dien-10-one has a molecular weight of 263.37 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,8S,15S)-5,5-dimethyl-6,9-dioxa-11-aza-5-silatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2-dien-10-one is sourced from PubChem (CID 11492657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).