trimethyl-[2-[[3-methyl-4-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl]silane

C24H31N5O3Si — CID 58382089

IUPACtrimethyl-[2-[[3-methyl-4-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl]silane
SMILESCc1c(-c2ccc(C3(C)OCCO3)cc2)n(COCC[Si](C)(C)C)c2ncc3nncn3c12
InChIInChI=1S/C24H31N5O3Si/c1-17-21(18-6-8-19(9-7-18)24(2)31-10-11-32-24)29(16-30-12-13-33(3,4)5)23-22(17)28-15-26-27-20(28)14-25-23/h6-9,14-15H,10-13,16H2,1-5H3
InChIKeyKIRPEILMJJYMMN-UHFFFAOYSA-N
MW465.63 g/mol
LogP4.59
Rot. Bonds7

About trimethyl-[2-[[3-methyl-4-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl]silane

trimethyl-[2-[[3-methyl-4-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl]silane (PubChem CID 58382089) has the molecular formula C24H31N5O3Si and a molecular weight of 465.63 g/mol. Its IUPAC name is trimethyl-[2-[[3-methyl-4-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[3-methyl-4-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl]silane
PubChem CID58382089
Molecular FormulaC24H31N5O3Si
Molecular Weight465.63 g/mol
Exact Mass465.22
IUPAC Nametrimethyl-[2-[[3-methyl-4-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl]silane
SMILESCc1c(-c2ccc(C3(C)OCCO3)cc2)n(COCC[Si](C)(C)C)c2ncc3nncn3c12
InChIInChI=1S/C24H31N5O3Si/c1-17-21(18-6-8-19(9-7-18)24(2)31-10-11-32-24)29(16-30-12-13-33(3,4)5)23-22(17)28-15-26-27-20(28)14-25-23/h6-9,14-15H,10-13,16H2,1-5H3
InChIKeyKIRPEILMJJYMMN-UHFFFAOYSA-N
XLogP4.59
TPSA75.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.63
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[3-methyl-4-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[3-methyl-4-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl]silane (CID 58382089) is trimethyl-[2-[[3-methyl-4-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[3-methyl-4-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[3-methyl-4-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl]silane is Cc1c(-c2ccc(C3(C)OCCO3)cc2)n(COCC[Si](C)(C)C)c2ncc3nncn3c12.
What is the InChIKey of trimethyl-[2-[[3-methyl-4-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl]silane?
The InChIKey is KIRPEILMJJYMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3Si/c1-17-21(18-6-8-19(9-7-18)24(2)31-10-11-32-24)29(16-30-12-13-33(3,4)5)23-22(17)28-15-26-27-20(28)14-25-23/h6-9,14-15H,10-13,16H2,1-5H3.
What are the key properties of trimethyl-[2-[[3-methyl-4-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl]silane?
trimethyl-[2-[[3-methyl-4-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl]silane has a molecular weight of 465.63 g/mol, XLogP of 4.59, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[3-methyl-4-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl]silane is sourced from PubChem (CID 58382089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).