[10-(2-ethylhexoxycarbonyloxy)-2,6-dimethylanthracen-9-yl] 2-ethylhexyl carbonate

C34H46O6 — CID 135239787

IUPAC[10-(2-ethylhexoxycarbonyloxy)-2,6-dimethylanthracen-9-yl] 2-ethylhexyl carbonate
SMILESCCCCC(CC)COC(=O)Oc1c2ccc(C)cc2c(OC(=O)OCC(CC)CCCC)c2ccc(C)cc12
InChIInChI=1S/C34H46O6/c1-7-11-13-25(9-3)21-37-33(35)39-31-27-17-15-24(6)20-30(27)32(28-18-16-23(5)19-29(28)31)40-34(36)38-22-26(10-4)14-12-8-2/h15-20,25-26H,7-14,21-22H2,1-6H3
InChIKeyAVHVWTUXFCFGPM-UHFFFAOYSA-N
MW550.74 g/mol
LogP10.07
Rot. Bonds14

About [10-(2-ethylhexoxycarbonyloxy)-2,6-dimethylanthracen-9-yl] 2-ethylhexyl carbonate

[10-(2-ethylhexoxycarbonyloxy)-2,6-dimethylanthracen-9-yl] 2-ethylhexyl carbonate (PubChem CID 135239787) has the molecular formula C34H46O6 and a molecular weight of 550.74 g/mol. Its IUPAC name is [10-(2-ethylhexoxycarbonyloxy)-2,6-dimethylanthracen-9-yl] 2-ethylhexyl carbonate.

Molecular Properties

Compound Name[10-(2-ethylhexoxycarbonyloxy)-2,6-dimethylanthracen-9-yl] 2-ethylhexyl carbonate
PubChem CID135239787
Molecular FormulaC34H46O6
Molecular Weight550.74 g/mol
Exact Mass550.33
IUPAC Name[10-(2-ethylhexoxycarbonyloxy)-2,6-dimethylanthracen-9-yl] 2-ethylhexyl carbonate
SMILESCCCCC(CC)COC(=O)Oc1c2ccc(C)cc2c(OC(=O)OCC(CC)CCCC)c2ccc(C)cc12
InChIInChI=1S/C34H46O6/c1-7-11-13-25(9-3)21-37-33(35)39-31-27-17-15-24(6)20-30(27)32(28-18-16-23(5)19-29(28)31)40-34(36)38-22-26(10-4)14-12-8-2/h15-20,25-26H,7-14,21-22H2,1-6H3
InChIKeyAVHVWTUXFCFGPM-UHFFFAOYSA-N
XLogP10.07
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.74
LogP ≤ 510.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [10-(2-ethylhexoxycarbonyloxy)-2,6-dimethylanthracen-9-yl] 2-ethylhexyl 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

[2,7-diethyl-10-(2-ethylhexoxycarbonyloxy)anthracen-9-yl] 2-ethylhexyl carbonate
CID 135239718
[10-(2-ethylhexoxycarbonyloxy)-2-methyl-1,4-dihydroanthracen-9-yl] 2-ethylhexyl carbonate
CID 153323271
ethyl 2-ethylhexyl carbonate
CID 54194012
4-O,5-O-diethyl 1-O,2-O-bis(2-ethylhexyl) benzene-1,2,4,5-tetracarboxylate
CID 50905906
[(2R)-2-ethylhexoxy]carbonyloxy [(2S)-2-ethylhexyl] carbonate
CID 94863795
2-(2-ethylhexoxy)-4-methylaniline
CID 63404064
[6-chloro-2,3-dimethoxy-4-(2-methylhexoxycarbonyloxy)naphthalen-1-yl] 2-methylhexyl carbonate
CID 19886723
2-ethylhexyl [4-(4-propan-2-yloxyphenyl)sulfonylphenyl] carbonate
CID 18995614
2-ethylhexyl propyliodanuidylformate
CID 156903380
2-ethylhexyl pentadecyl carbonate
CID 91693131
bis[(2S)-2-ethylhexyl] furan-2,5-dicarboxylate
CID 137368086
2,6,9,10-tetrakis(2-ethylhexoxy)anthracene
CID 139930225

Frequently Asked Questions

What is the IUPAC name of [10-(2-ethylhexoxycarbonyloxy)-2,6-dimethylanthracen-9-yl] 2-ethylhexyl carbonate?
The IUPAC name of [10-(2-ethylhexoxycarbonyloxy)-2,6-dimethylanthracen-9-yl] 2-ethylhexyl carbonate (CID 135239787) is [10-(2-ethylhexoxycarbonyloxy)-2,6-dimethylanthracen-9-yl] 2-ethylhexyl carbonate.
What is the SMILES notation for [10-(2-ethylhexoxycarbonyloxy)-2,6-dimethylanthracen-9-yl] 2-ethylhexyl carbonate?
The canonical SMILES for [10-(2-ethylhexoxycarbonyloxy)-2,6-dimethylanthracen-9-yl] 2-ethylhexyl carbonate is CCCCC(CC)COC(=O)Oc1c2ccc(C)cc2c(OC(=O)OCC(CC)CCCC)c2ccc(C)cc12.
What is the InChIKey of [10-(2-ethylhexoxycarbonyloxy)-2,6-dimethylanthracen-9-yl] 2-ethylhexyl carbonate?
The InChIKey is AVHVWTUXFCFGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H46O6/c1-7-11-13-25(9-3)21-37-33(35)39-31-27-17-15-24(6)20-30(27)32(28-18-16-23(5)19-29(28)31)40-34(36)38-22-26(10-4)14-12-8-2/h15-20,25-26H,7-14,21-22H2,1-6H3.
What are the key properties of [10-(2-ethylhexoxycarbonyloxy)-2,6-dimethylanthracen-9-yl] 2-ethylhexyl carbonate?
[10-(2-ethylhexoxycarbonyloxy)-2,6-dimethylanthracen-9-yl] 2-ethylhexyl carbonate has a molecular weight of 550.74 g/mol, XLogP of 10.07, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [10-(2-ethylhexoxycarbonyloxy)-2,6-dimethylanthracen-9-yl] 2-ethylhexyl carbonate is sourced from PubChem (CID 135239787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).