CID 123336172

C26H47N6O6Si — CID 123336172

IUPAC—
SMILESC=CCOCN(COC)c1nc(N(COCC)COCC=C)nc(N(COCC=C)COCCC[Si](C)C)n1
InChIInChI=1S/C26H47N6O6Si/c1-8-13-35-20-30(18-33-5)24-27-25(31(19-34-11-4)21-36-14-9-2)29-26(28-24)32(22-37-15-10-3)23-38-16-12-17-39(6)7/h8-10H,1-3,11-23H2,4-7H3
InChIKeyJPDCOCVJKLMEJJ-UHFFFAOYSA-N
MW567.78 g/mol
LogP3.49
Rot. Bonds26

About CID 123336172

CID 123336172 (PubChem CID 123336172) has the molecular formula C26H47N6O6Si and a molecular weight of 567.78 g/mol.

Molecular Properties

Compound NameCID 123336172
PubChem CID123336172
Molecular FormulaC26H47N6O6Si
Molecular Weight567.78 g/mol
Exact Mass567.33
IUPAC Name—
SMILESC=CCOCN(COC)c1nc(N(COCC)COCC=C)nc(N(COCC=C)COCCC[Si](C)C)n1
InChIInChI=1S/C26H47N6O6Si/c1-8-13-35-20-30(18-33-5)24-27-25(31(19-34-11-4)21-36-14-9-2)29-26(28-24)32(22-37-15-10-3)23-38-16-12-17-39(6)7/h8-10H,1-3,11-23H2,4-7H3
InChIKeyJPDCOCVJKLMEJJ-UHFFFAOYSA-N
XLogP3.49
TPSA103.77 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds26
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.78
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-N,2-N,4-N,4-N,6-N,6-N-hexakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 54364643
4-N-[3-[[3-[[[4-[bis(prop-2-enoxymethyl)amino]-6-[methoxymethyl(prop-2-enoxymethyl)amino]-1,3,5-triazin-2-yl]-(prop-2-enoxymethyl)amino]methoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-6-N-(methoxymethyl)-2-N,2-N,4-N,6-N-tetrakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 58418634
6-N,6-N-bis(methoxymethyl)-2-N,2-N,4-N,4-N-tetrakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 58418636
3-[[4,6-Bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxy]propyl-trimethoxysilane
CID 59335555
4-N-[3-[[2-[[[4-[bis(prop-2-enoxymethyl)amino]-6-[methoxymethyl(prop-2-enoxymethyl)amino]-1,3,5-triazin-2-yl]-(prop-2-enoxymethyl)amino]methoxy]ethyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-6-N-(methoxymethyl)-2-N,2-N,4-N,6-N-tetrakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 89343458
3-[[4,6-Bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxy]propyl-dihydroxy-methoxysilane
CID 89888604
3-[[4,6-Bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxy]propyl-hydroxy-dimethoxysilane
CID 89888605
3-[[4,6-Bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxy]propyl-ethoxy-dihydroxysilane
CID 89888606
3-[[4,6-Bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxy]propyl-ethoxy-hydroxy-methoxysilane
CID 89888607
3-[[4,6-Bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxy]propyl-ethoxy-dipropoxysilane
CID 89888608
3-[[4,6-Bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxy]propyl-triethoxysilane
CID 89888610
3-[[4,6-Bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxy]propyl-tripropoxysilane
CID 89888611

Frequently Asked Questions

What is the IUPAC name of CID 123336172?
The IUPAC name of CID 123336172 (CID 123336172) is not available.
What is the SMILES notation for CID 123336172?
The canonical SMILES for CID 123336172 is C=CCOCN(COC)c1nc(N(COCC)COCC=C)nc(N(COCC=C)COCCC[Si](C)C)n1.
What is the InChIKey of CID 123336172?
The InChIKey is JPDCOCVJKLMEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H47N6O6Si/c1-8-13-35-20-30(18-33-5)24-27-25(31(19-34-11-4)21-36-14-9-2)29-26(28-24)32(22-37-15-10-3)23-38-16-12-17-39(6)7/h8-10H,1-3,11-23H2,4-7H3.
What are the key properties of CID 123336172?
CID 123336172 has a molecular weight of 567.78 g/mol, XLogP of 3.49, 26 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123336172 is sourced from PubChem (CID 123336172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).