2-[2-[2-[2-[2-[2-[(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate

C24H46O9S — CID 123432599

IUPAC2-[2-[2-[2-[2-[2-[(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
SMILESCC1CC2CC(C1)CC(C)(OCCOCCOCCOCCOCCOCCOS(C)(=O)=O)C2
InChIInChI=1S/C24H46O9S/c1-21-16-22-18-23(17-21)20-24(2,19-22)32-14-12-30-10-8-28-6-4-27-5-7-29-9-11-31-13-15-33-34(3,25)26/h21-23H,4-20H2,1-3H3
InChIKeyMUJGMXYFMBOVDP-UHFFFAOYSA-N
MW510.69 g/mol
LogP2.67
Rot. Bonds20

About 2-[2-[2-[2-[2-[2-[(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate

2-[2-[2-[2-[2-[2-[(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate (PubChem CID 123432599) has the molecular formula C24H46O9S and a molecular weight of 510.69 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-[(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
PubChem CID123432599
Molecular FormulaC24H46O9S
Molecular Weight510.69 g/mol
Exact Mass510.29
IUPAC Name2-[2-[2-[2-[2-[2-[(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
SMILESCC1CC2CC(C1)CC(C)(OCCOCCOCCOCCOCCOCCOS(C)(=O)=O)C2
InChIInChI=1S/C24H46O9S/c1-21-16-22-18-23(17-21)20-24(2,19-22)32-14-12-30-10-8-28-6-4-27-5-7-29-9-11-31-13-15-33-34(3,25)26/h21-23H,4-20H2,1-3H3
InChIKeyMUJGMXYFMBOVDP-UHFFFAOYSA-N
XLogP2.67
TPSA98.75 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds20
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.69
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze 2-[2-[2-[2-[2-[2-[(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate 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 2-[2-[2-[2-[2-[2-[(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate?
The IUPAC name of 2-[2-[2-[2-[2-[2-[(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate (CID 123432599) is 2-[2-[2-[2-[2-[2-[(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-[(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate?
The canonical SMILES for 2-[2-[2-[2-[2-[2-[(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate is CC1CC2CC(C1)CC(C)(OCCOCCOCCOCCOCCOCCOS(C)(=O)=O)C2.
What is the InChIKey of 2-[2-[2-[2-[2-[2-[(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate?
The InChIKey is MUJGMXYFMBOVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O9S/c1-21-16-22-18-23(17-21)20-24(2,19-22)32-14-12-30-10-8-28-6-4-27-5-7-29-9-11-31-13-15-33-34(3,25)26/h21-23H,4-20H2,1-3H3.
What are the key properties of 2-[2-[2-[2-[2-[2-[(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate?
2-[2-[2-[2-[2-[2-[(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate has a molecular weight of 510.69 g/mol, XLogP of 2.67, 20 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-[(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate is sourced from PubChem (CID 123432599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).