CID 177302469

C26H58N2O6Si4 — CID 177302469

IUPAC—
SMILESCCOC(N1CC(COCCCCOCC2CN(C(OCC)[Si](C)C)C[Si](C)(C)O2)O[Si](C)(C)C1)[Si](C)C
InChIInChI=1S/C26H58N2O6Si4/c1-11-31-25(35(3)4)27-17-23(33-37(7,8)21-27)19-29-15-13-14-16-30-20-24-18-28(22-38(9,10)34-24)26(32-12-2)36(5)6/h23-26H,11-22H2,1-10H3
InChIKeyCFOIWDMIHURDHN-UHFFFAOYSA-N
MW607.10 g/mol
LogP4.00
Rot. Bonds17

About CID 177302469

CID 177302469 (PubChem CID 177302469) has the molecular formula C26H58N2O6Si4 and a molecular weight of 607.10 g/mol.

Molecular Properties

Compound NameCID 177302469
PubChem CID177302469
Molecular FormulaC26H58N2O6Si4
Molecular Weight607.10 g/mol
Exact Mass606.34
IUPAC Name—
SMILESCCOC(N1CC(COCCCCOCC2CN(C(OCC)[Si](C)C)C[Si](C)(C)O2)O[Si](C)(C)C1)[Si](C)C
InChIInChI=1S/C26H58N2O6Si4/c1-11-31-25(35(3)4)27-17-23(33-37(7,8)21-27)19-29-15-13-14-16-30-20-24-18-28(22-38(9,10)34-24)26(32-12-2)36(5)6/h23-26H,11-22H2,1-10H3
InChIKeyCFOIWDMIHURDHN-UHFFFAOYSA-N
XLogP4.00
TPSA61.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500607.10
LogP ≤ 54.00
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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Related Compounds

CID 177302436
CID 177302436
2-(4,4-diethoxybutoxymethyl)oxirane
CID 87292849
CID 177302475
CID 177302475
2-(9-methylundecoxymethyl)oxirane
CID 167130784
2,2-diethoxyethyl-[5-(oxiran-2-ylmethoxy)pentyl]silane
CID 150898745
2-(pentoxymethyl)oxirane
CID 160890113
2-(5-methylheptoxymethyl)oxirane;propane-1,2,3-triol
CID 174940930
2,2-diethoxyethyl-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 123713397
2-[[4-hexadecoxy-3-(hexadecoxymethyl)butoxy]methyl]oxirane
CID 101085223
diethoxymethyl-methyl-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 154354243
2-(decoxymethyl)oxirane;2-(nonoxymethyl)oxirane;2-(octoxymethyl)oxirane
CID 71311396
2-(octoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane
CID 174518537

Frequently Asked Questions

What is the IUPAC name of CID 177302469?
The IUPAC name of CID 177302469 (CID 177302469) is not available.
What is the SMILES notation for CID 177302469?
The canonical SMILES for CID 177302469 is CCOC(N1CC(COCCCCOCC2CN(C(OCC)[Si](C)C)C[Si](C)(C)O2)O[Si](C)(C)C1)[Si](C)C.
What is the InChIKey of CID 177302469?
The InChIKey is CFOIWDMIHURDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H58N2O6Si4/c1-11-31-25(35(3)4)27-17-23(33-37(7,8)21-27)19-29-15-13-14-16-30-20-24-18-28(22-38(9,10)34-24)26(32-12-2)36(5)6/h23-26H,11-22H2,1-10H3.
What are the key properties of CID 177302469?
CID 177302469 has a molecular weight of 607.10 g/mol, XLogP of 4.00, 17 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177302469 is sourced from PubChem (CID 177302469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).