CID 58382924

C73H144O17Si2 — CID 58382924

IUPAC—
SMILESCCO[Si]CCCCC(=O)CCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCC(=O)CCCC[Si]C
InChIInChI=1S/C73H144O17Si2/c1-3-90-92-71-37-7-41-73(75)39-5-9-43-77-45-11-13-47-79-49-15-17-51-81-53-19-21-55-83-57-23-25-59-85-61-27-29-63-87-65-31-33-67-89-69-35-34-68-88-66-32-30-64-86-62-28-26-60-84-58-24-22-56-82-54-20-18-52-80-50-16-14-48-78-46-12-10-44-76-42-8-4-38-72(74)40-6-36-70-91-2/h3-71H2,1-2H3
InChIKeyPBMQMFOTFIZFGW-UHFFFAOYSA-N
MW1350.11 g/mol
LogP15.43
Rot. Bonds87

About CID 58382924

CID 58382924 (PubChem CID 58382924) has the molecular formula C73H144O17Si2 and a molecular weight of 1350.11 g/mol.

Molecular Properties

Compound NameCID 58382924
PubChem CID58382924
Molecular FormulaC73H144O17Si2
Molecular Weight1350.11 g/mol
Exact Mass1348.99
IUPAC Name—
SMILESCCO[Si]CCCCC(=O)CCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCC(=O)CCCC[Si]C
InChIInChI=1S/C73H144O17Si2/c1-3-90-92-71-37-7-41-73(75)39-5-9-43-77-45-11-13-47-79-49-15-17-51-81-53-19-21-55-83-57-23-25-59-85-61-27-29-63-87-65-31-33-67-89-69-35-34-68-88-66-32-30-64-86-62-28-26-60-84-58-24-22-56-82-54-20-18-52-80-50-16-14-48-78-46-12-10-44-76-42-8-4-38-72(74)40-6-36-70-91-2/h3-71H2,1-2H3
InChIKeyPBMQMFOTFIZFGW-UHFFFAOYSA-N
XLogP15.43
TPSA172.59 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds87
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001350.11
LogP ≤ 515.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 58382924?
The IUPAC name of CID 58382924 (CID 58382924) is not available.
What is the SMILES notation for CID 58382924?
The canonical SMILES for CID 58382924 is CCO[Si]CCCCC(=O)CCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCC(=O)CCCC[Si]C.
What is the InChIKey of CID 58382924?
The InChIKey is PBMQMFOTFIZFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H144O17Si2/c1-3-90-92-71-37-7-41-73(75)39-5-9-43-77-45-11-13-47-79-49-15-17-51-81-53-19-21-55-83-57-23-25-59-85-61-27-29-63-87-65-31-33-67-89-69-35-34-68-88-66-32-30-64-86-62-28-26-60-84-58-24-22-56-82-54-20-18-52-80-50-16-14-48-78-46-12-10-44-76-42-8-4-38-72(74)40-6-36-70-91-2/h3-71H2,1-2H3.
What are the key properties of CID 58382924?
CID 58382924 has a molecular weight of 1350.11 g/mol, XLogP of 15.43, 87 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58382924 is sourced from PubChem (CID 58382924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).