CID 136901399

C24H51GeO9 — CID 136901399

IUPAC
SMILESCOCCOCCOCCC[Ge](CCCOCCOCCOC)CCCOCCOCCOC
InChIInChI=1S/C24H51GeO9/c1-26-13-16-32-22-19-29-10-4-7-25(8-5-11-30-20-23-33-17-14-27-2)9-6-12-31-21-24-34-18-15-28-3/h4-24H2,1-3H3
InChIKeyAGHFNTOWXGPCQR-UHFFFAOYSA-N
MW556.27 g/mol
LogP2.69
Rot. Bonds30

About CID 136901399

CID 136901399 (PubChem CID 136901399) has the molecular formula C24H51GeO9 and a molecular weight of 556.27 g/mol.

Molecular Properties

Compound NameCID 136901399
PubChem CID136901399
Molecular FormulaC24H51GeO9
Molecular Weight556.27 g/mol
Exact Mass557.27
IUPAC Name
SMILESCOCCOCCOCCC[Ge](CCCOCCOCCOC)CCCOCCOCCOC
InChIInChI=1S/C24H51GeO9/c1-26-13-16-32-22-19-29-10-4-7-25(8-5-11-30-20-23-33-17-14-27-2)9-6-12-31-21-24-34-18-15-28-3/h4-24H2,1-3H3
InChIKeyAGHFNTOWXGPCQR-UHFFFAOYSA-N
XLogP2.69
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds30
Heavy Atoms34
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.27
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 136901399?
The IUPAC name of CID 136901399 (CID 136901399) is not available.
What is the SMILES notation for CID 136901399?
The canonical SMILES for CID 136901399 is COCCOCCOCCC[Ge](CCCOCCOCCOC)CCCOCCOCCOC.
What is the InChIKey of CID 136901399?
The InChIKey is AGHFNTOWXGPCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51GeO9/c1-26-13-16-32-22-19-29-10-4-7-25(8-5-11-30-20-23-33-17-14-27-2)9-6-12-31-21-24-34-18-15-28-3/h4-24H2,1-3H3.
What are the key properties of CID 136901399?
CID 136901399 has a molecular weight of 556.27 g/mol, XLogP of 2.69, 30 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136901399 is sourced from PubChem (CID 136901399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).