CID 89350423

C41H85NO3Si — CID 89350423

IUPAC—
SMILESCCCCCCCCCCCCOC(CCCCCCCCCCCCCO[Si]CCCN)OCCCCCCCCCCCC
InChIInChI=1S/C41H85NO3Si/c1-3-5-7-9-11-13-19-23-27-31-37-43-41(44-38-32-28-24-20-14-12-10-8-6-4-2)35-30-26-22-18-16-15-17-21-25-29-33-39-45-46-40-34-36-42/h41H,3-40,42H2,1-2H3
InChIKeyPKUFWJVIUFTKFB-UHFFFAOYSA-N
MW668.22 g/mol
LogP13.27
Rot. Bonds42

About CID 89350423

CID 89350423 (PubChem CID 89350423) has the molecular formula C41H85NO3Si and a molecular weight of 668.22 g/mol.

Molecular Properties

Compound NameCID 89350423
PubChem CID89350423
Molecular FormulaC41H85NO3Si
Molecular Weight668.22 g/mol
Exact Mass667.63
IUPAC Name—
SMILESCCCCCCCCCCCCOC(CCCCCCCCCCCCCO[Si]CCCN)OCCCCCCCCCCCC
InChIInChI=1S/C41H85NO3Si/c1-3-5-7-9-11-13-19-23-27-31-37-43-41(44-38-32-28-24-20-14-12-10-8-6-4-2)35-30-26-22-18-16-15-17-21-25-29-33-39-45-46-40-34-36-42/h41H,3-40,42H2,1-2H3
InChIKeyPKUFWJVIUFTKFB-UHFFFAOYSA-N
XLogP13.27
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds42
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.22
LogP ≤ 513.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

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1-(15,15-dioctoxy-1-propoxypentadecoxy)-15,15-dioctoxy-1-propoxypentadecane
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Frequently Asked Questions

What is the IUPAC name of CID 89350423?
The IUPAC name of CID 89350423 (CID 89350423) is not available.
What is the SMILES notation for CID 89350423?
The canonical SMILES for CID 89350423 is CCCCCCCCCCCCOC(CCCCCCCCCCCCCO[Si]CCCN)OCCCCCCCCCCCC.
What is the InChIKey of CID 89350423?
The InChIKey is PKUFWJVIUFTKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H85NO3Si/c1-3-5-7-9-11-13-19-23-27-31-37-43-41(44-38-32-28-24-20-14-12-10-8-6-4-2)35-30-26-22-18-16-15-17-21-25-29-33-39-45-46-40-34-36-42/h41H,3-40,42H2,1-2H3.
What are the key properties of CID 89350423?
CID 89350423 has a molecular weight of 668.22 g/mol, XLogP of 13.27, 42 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89350423 is sourced from PubChem (CID 89350423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).