CID 171727463

C44H78O6Si2 — CID 171727463

IUPAC—
SMILESCCCCCCCCCCCCCCCCCC[Si]Oc1cc(C(=O)O)c(O[Si]CCCCCCCCCCCCCCCCCC)cc1C(=O)O
InChIInChI=1S/C44H78O6Si2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-51-49-41-37-40(44(47)48)42(38-39(41)43(45)46)50-52-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37-38H,3-36H2,1-2H3,(H,45,46)(H,47,48)
InChIKeyFTFMAABFTQXHQE-UHFFFAOYSA-N
MW759.27 g/mol
LogP14.44
Rot. Bonds40

About CID 171727463

CID 171727463 (PubChem CID 171727463) has the molecular formula C44H78O6Si2 and a molecular weight of 759.27 g/mol.

Molecular Properties

Compound NameCID 171727463
PubChem CID171727463
Molecular FormulaC44H78O6Si2
Molecular Weight759.27 g/mol
Exact Mass758.53
IUPAC Name—
SMILESCCCCCCCCCCCCCCCCCC[Si]Oc1cc(C(=O)O)c(O[Si]CCCCCCCCCCCCCCCCCC)cc1C(=O)O
InChIInChI=1S/C44H78O6Si2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-51-49-41-37-40(44(47)48)42(38-39(41)43(45)46)50-52-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37-38H,3-36H2,1-2H3,(H,45,46)(H,47,48)
InChIKeyFTFMAABFTQXHQE-UHFFFAOYSA-N
XLogP14.44
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds40
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.27
LogP ≤ 514.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 171727463?
The IUPAC name of CID 171727463 (CID 171727463) is not available.
What is the SMILES notation for CID 171727463?
The canonical SMILES for CID 171727463 is CCCCCCCCCCCCCCCCCC[Si]Oc1cc(C(=O)O)c(O[Si]CCCCCCCCCCCCCCCCCC)cc1C(=O)O.
What is the InChIKey of CID 171727463?
The InChIKey is FTFMAABFTQXHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H78O6Si2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-51-49-41-37-40(44(47)48)42(38-39(41)43(45)46)50-52-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37-38H,3-36H2,1-2H3,(H,45,46)(H,47,48).
What are the key properties of CID 171727463?
CID 171727463 has a molecular weight of 759.27 g/mol, XLogP of 14.44, 40 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 171727463 is sourced from PubChem (CID 171727463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).