3,3,22,22-tetraethyl-9,16,28,35-tetraoxa-3,22-digermapentacyclo[34.2.2.25,8.217,20.224,27]hexatetracontane-2,23-dione

C48H88Ge2O6 — CID 140539485

IUPAC3,3,22,22-tetraethyl-9,16,28,35-tetraoxa-3,22-digermapentacyclo[34.2.2.25,8.217,20.224,27]hexatetracontane-2,23-dione
SMILESCC[Ge]1(CC)CC2CCC(CC2)OCCCCCCOC2CCC(CC2)C[Ge](CC)(CC)C(=O)C2CCC(CC2)OCCCCCCOC2CCC(CC2)C1=O
InChIInChI=1S/C48H88Ge2O6/c1-5-49(6-2)37-39-17-25-43(26-18-39)53-33-13-9-10-14-34-54-44-27-19-40(20-28-44)38-50(7-3,8-4)48(52)42-23-31-46(32-24-42)56-36-16-12-11-15-35-55-45-29-21-41(22-30-45)47(49)51/h39-46H,5-38H2,1-4H3
InChIKeyAORWCOZKDLOJKZ-UHFFFAOYSA-N
MW906.45 g/mol
LogP12.62
Rot. Bonds4

About 3,3,22,22-tetraethyl-9,16,28,35-tetraoxa-3,22-digermapentacyclo[34.2.2.25,8.217,20.224,27]hexatetracontane-2,23-dione

3,3,22,22-tetraethyl-9,16,28,35-tetraoxa-3,22-digermapentacyclo[34.2.2.25,8.217,20.224,27]hexatetracontane-2,23-dione (PubChem CID 140539485) has the molecular formula C48H88Ge2O6 and a molecular weight of 906.45 g/mol. Its IUPAC name is 3,3,22,22-tetraethyl-9,16,28,35-tetraoxa-3,22-digermapentacyclo[34.2.2.25,8.217,20.224,27]hexatetracontane-2,23-dione.

Molecular Properties

Compound Name3,3,22,22-tetraethyl-9,16,28,35-tetraoxa-3,22-digermapentacyclo[34.2.2.25,8.217,20.224,27]hexatetracontane-2,23-dione
PubChem CID140539485
Molecular FormulaC48H88Ge2O6
Molecular Weight906.45 g/mol
Exact Mass908.50
IUPAC Name3,3,22,22-tetraethyl-9,16,28,35-tetraoxa-3,22-digermapentacyclo[34.2.2.25,8.217,20.224,27]hexatetracontane-2,23-dione
SMILESCC[Ge]1(CC)CC2CCC(CC2)OCCCCCCOC2CCC(CC2)C[Ge](CC)(CC)C(=O)C2CCC(CC2)OCCCCCCOC2CCC(CC2)C1=O
InChIInChI=1S/C48H88Ge2O6/c1-5-49(6-2)37-39-17-25-43(26-18-39)53-33-13-9-10-14-34-54-44-27-19-40(20-28-44)38-50(7-3,8-4)48(52)42-23-31-46(32-24-42)56-36-16-12-11-15-35-55-45-29-21-41(22-30-45)47(49)51/h39-46H,5-38H2,1-4H3
InChIKeyAORWCOZKDLOJKZ-UHFFFAOYSA-N
XLogP12.62
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500906.45
LogP ≤ 512.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3,3,22,22-tetraethyl-9,16,28,35-tetraoxa-3,22-digermapentacyclo[34.2.2.25,8.217,20.224,27]hexatetracontane-2,23-dione 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 3,3,22,22-tetraethyl-9,16,28,35-tetraoxa-3,22-digermapentacyclo[34.2.2.25,8.217,20.224,27]hexatetracontane-2,23-dione?
The IUPAC name of 3,3,22,22-tetraethyl-9,16,28,35-tetraoxa-3,22-digermapentacyclo[34.2.2.25,8.217,20.224,27]hexatetracontane-2,23-dione (CID 140539485) is 3,3,22,22-tetraethyl-9,16,28,35-tetraoxa-3,22-digermapentacyclo[34.2.2.25,8.217,20.224,27]hexatetracontane-2,23-dione.
What is the SMILES notation for 3,3,22,22-tetraethyl-9,16,28,35-tetraoxa-3,22-digermapentacyclo[34.2.2.25,8.217,20.224,27]hexatetracontane-2,23-dione?
The canonical SMILES for 3,3,22,22-tetraethyl-9,16,28,35-tetraoxa-3,22-digermapentacyclo[34.2.2.25,8.217,20.224,27]hexatetracontane-2,23-dione is CC[Ge]1(CC)CC2CCC(CC2)OCCCCCCOC2CCC(CC2)C[Ge](CC)(CC)C(=O)C2CCC(CC2)OCCCCCCOC2CCC(CC2)C1=O.
What is the InChIKey of 3,3,22,22-tetraethyl-9,16,28,35-tetraoxa-3,22-digermapentacyclo[34.2.2.25,8.217,20.224,27]hexatetracontane-2,23-dione?
The InChIKey is AORWCOZKDLOJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H88Ge2O6/c1-5-49(6-2)37-39-17-25-43(26-18-39)53-33-13-9-10-14-34-54-44-27-19-40(20-28-44)38-50(7-3,8-4)48(52)42-23-31-46(32-24-42)56-36-16-12-11-15-35-55-45-29-21-41(22-30-45)47(49)51/h39-46H,5-38H2,1-4H3.
What are the key properties of 3,3,22,22-tetraethyl-9,16,28,35-tetraoxa-3,22-digermapentacyclo[34.2.2.25,8.217,20.224,27]hexatetracontane-2,23-dione?
3,3,22,22-tetraethyl-9,16,28,35-tetraoxa-3,22-digermapentacyclo[34.2.2.25,8.217,20.224,27]hexatetracontane-2,23-dione has a molecular weight of 906.45 g/mol, XLogP of 12.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,22,22-tetraethyl-9,16,28,35-tetraoxa-3,22-digermapentacyclo[34.2.2.25,8.217,20.224,27]hexatetracontane-2,23-dione is sourced from PubChem (CID 140539485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).