anthracen-9-ylmethyl 2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl carbonate

C28H36O9 — CID 101168838

IUPACanthracen-9-ylmethyl 2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl carbonate
SMILESO=C(OCCOCCOCCOCCOCCOCCO)OCc1c2ccccc2cc2ccccc12
InChIInChI=1S/C28H36O9/c29-9-10-31-11-12-32-13-14-33-15-16-34-17-18-35-19-20-36-28(30)37-22-27-25-7-3-1-5-23(25)21-24-6-2-4-8-26(24)27/h1-8,21,29H,9-20,22H2
InChIKeyHVBNIUGKEGRBBF-UHFFFAOYSA-N
MW516.59 g/mol
LogP3.72
Rot. Bonds19

About anthracen-9-ylmethyl 2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl carbonate

anthracen-9-ylmethyl 2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl carbonate (PubChem CID 101168838) has the molecular formula C28H36O9 and a molecular weight of 516.59 g/mol. Its IUPAC name is anthracen-9-ylmethyl 2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl carbonate.

Molecular Properties

Compound Nameanthracen-9-ylmethyl 2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl carbonate
PubChem CID101168838
Molecular FormulaC28H36O9
Molecular Weight516.59 g/mol
Exact Mass516.24
IUPAC Nameanthracen-9-ylmethyl 2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl carbonate
SMILESO=C(OCCOCCOCCOCCOCCOCCO)OCc1c2ccccc2cc2ccccc12
InChIInChI=1S/C28H36O9/c29-9-10-31-11-12-32-13-14-33-15-16-34-17-18-35-19-20-36-28(30)37-22-27-25-7-3-1-5-23(25)21-24-6-2-4-8-26(24)27/h1-8,21,29H,9-20,22H2
InChIKeyHVBNIUGKEGRBBF-UHFFFAOYSA-N
XLogP3.72
TPSA101.91 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.59
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze anthracen-9-ylmethyl 2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl carbonate with MolForge

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

Launch Full Analysis

Related Compounds

anthracen-9-ylmethyl acetate
CID 27876
anthracen-9-ylmethyl N-methylcarbamate
CID 90378707
anthracen-9-ylmethyl anthracene-9-carboxylate
CID 59653644
anthracen-9-ylmethyl 2-bromo-2-methylpropanoate
CID 71362067
anthracen-9-ylmethyl 2,2-difluoropropanoate
CID 58226293
9-(2-ethoxyethoxymethyl)anthracene
CID 22345017
2-(2-hydroxyethoxy)ethoxycarbonyl benzoate
CID 174850057
2-propoxyethyl anthracene-9-carboxylate
CID 86199632
benzyl 2-hydroxyethyl carbonate
CID 139815197
tetracen-5-ylmethyl 2-methylprop-2-enoate
CID 59584223
2-anthracen-9-ylethyl prop-2-enoate
CID 18335281
5-O-(anthracen-9-ylmethyl) 1-O-(2-hydroxyethyl) 3-O-methyl 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylate
CID 164793550

Frequently Asked Questions

What is the IUPAC name of anthracen-9-ylmethyl 2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl carbonate?
The IUPAC name of anthracen-9-ylmethyl 2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl carbonate (CID 101168838) is anthracen-9-ylmethyl 2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl carbonate.
What is the SMILES notation for anthracen-9-ylmethyl 2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl carbonate?
The canonical SMILES for anthracen-9-ylmethyl 2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl carbonate is O=C(OCCOCCOCCOCCOCCOCCO)OCc1c2ccccc2cc2ccccc12.
What is the InChIKey of anthracen-9-ylmethyl 2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl carbonate?
The InChIKey is HVBNIUGKEGRBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36O9/c29-9-10-31-11-12-32-13-14-33-15-16-34-17-18-35-19-20-36-28(30)37-22-27-25-7-3-1-5-23(25)21-24-6-2-4-8-26(24)27/h1-8,21,29H,9-20,22H2.
What are the key properties of anthracen-9-ylmethyl 2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl carbonate?
anthracen-9-ylmethyl 2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl carbonate has a molecular weight of 516.59 g/mol, XLogP of 3.72, 19 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for anthracen-9-ylmethyl 2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl carbonate is sourced from PubChem (CID 101168838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).