CID 88509445

C27H42Ge2O — CID 88509445

IUPAC
SMILESCCC[Ge](CCC)CCC(O[Ge](CCC)CCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H42Ge2O/c1-5-20-28(21-6-2)24-19-27(25-15-11-9-12-16-25,26-17-13-10-14-18-26)30-29(22-7-3)23-8-4/h9-18H,5-8,19-24H2,1-4H3
InChIKeyQZUZWKJNPGJBGF-UHFFFAOYSA-N
MW527.85 g/mol
LogP8.46
Rot. Bonds15

About CID 88509445

CID 88509445 (PubChem CID 88509445) has the molecular formula C27H42Ge2O and a molecular weight of 527.85 g/mol.

Molecular Properties

Compound NameCID 88509445
PubChem CID88509445
Molecular FormulaC27H42Ge2O
Molecular Weight527.85 g/mol
Exact Mass530.17
IUPAC Name
SMILESCCC[Ge](CCC)CCC(O[Ge](CCC)CCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H42Ge2O/c1-5-20-28(21-6-2)24-19-27(25-15-11-9-12-16-25,26-17-13-10-14-18-26)30-29(22-7-3)23-8-4/h9-18H,5-8,19-24H2,1-4H3
InChIKeyQZUZWKJNPGJBGF-UHFFFAOYSA-N
XLogP8.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms30
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.85
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze CID 88509445 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 88509445?
The IUPAC name of CID 88509445 (CID 88509445) is not available.
What is the SMILES notation for CID 88509445?
The canonical SMILES for CID 88509445 is CCC[Ge](CCC)CCC(O[Ge](CCC)CCC)(c1ccccc1)c1ccccc1.
What is the InChIKey of CID 88509445?
The InChIKey is QZUZWKJNPGJBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42Ge2O/c1-5-20-28(21-6-2)24-19-27(25-15-11-9-12-16-25,26-17-13-10-14-18-26)30-29(22-7-3)23-8-4/h9-18H,5-8,19-24H2,1-4H3.
What are the key properties of CID 88509445?
CID 88509445 has a molecular weight of 527.85 g/mol, XLogP of 8.46, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88509445 is sourced from PubChem (CID 88509445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).