CID 172619229

C23H52N3O5Si3 — CID 172619229

IUPAC—
SMILESCO[Si](OC)C(C)(CCCCCCCN1CCN(C)CC1)[Si]CNCCC[Si](OC)(OC)OC
InChIInChI=1S/C23H52N3O5Si3/c1-23(33(27-3)28-4,32-22-24-15-13-21-34(29-5,30-6)31-7)14-11-9-8-10-12-16-26-19-17-25(2)18-20-26/h24H,8-22H2,1-7H3
InChIKeyAJXFRYHGFHQACO-UHFFFAOYSA-N
MW534.94 g/mol
LogP2.59
Rot. Bonds21

About CID 172619229

CID 172619229 (PubChem CID 172619229) has the molecular formula C23H52N3O5Si3 and a molecular weight of 534.94 g/mol.

Molecular Properties

Compound NameCID 172619229
PubChem CID172619229
Molecular FormulaC23H52N3O5Si3
Molecular Weight534.94 g/mol
Exact Mass534.32
IUPAC Name—
SMILESCO[Si](OC)C(C)(CCCCCCCN1CCN(C)CC1)[Si]CNCCC[Si](OC)(OC)OC
InChIInChI=1S/C23H52N3O5Si3/c1-23(33(27-3)28-4,32-22-24-15-13-21-34(29-5,30-6)31-7)14-11-9-8-10-12-16-26-19-17-25(2)18-20-26/h24H,8-22H2,1-7H3
InChIKeyAJXFRYHGFHQACO-UHFFFAOYSA-N
XLogP2.59
TPSA64.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds21
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.94
LogP ≤ 52.59
H-Bond Donors ≤ 51
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

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Frequently Asked Questions

What is the IUPAC name of CID 172619229?
The IUPAC name of CID 172619229 (CID 172619229) is not available.
What is the SMILES notation for CID 172619229?
The canonical SMILES for CID 172619229 is CO[Si](OC)C(C)(CCCCCCCN1CCN(C)CC1)[Si]CNCCC[Si](OC)(OC)OC.
What is the InChIKey of CID 172619229?
The InChIKey is AJXFRYHGFHQACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H52N3O5Si3/c1-23(33(27-3)28-4,32-22-24-15-13-21-34(29-5,30-6)31-7)14-11-9-8-10-12-16-26-19-17-25(2)18-20-26/h24H,8-22H2,1-7H3.
What are the key properties of CID 172619229?
CID 172619229 has a molecular weight of 534.94 g/mol, XLogP of 2.59, 21 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172619229 is sourced from PubChem (CID 172619229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).