[1,5-dimethyl-10-(2-methylpropoxycarbonyloxy)anthracen-9-yl] 2-methylpropyl carbonate

C26H30O6 — CID 135239802

IUPAC[1,5-dimethyl-10-(2-methylpropoxycarbonyloxy)anthracen-9-yl] 2-methylpropyl carbonate
SMILESCc1cccc2c(OC(=O)OCC(C)C)c3c(C)cccc3c(OC(=O)OCC(C)C)c12
InChIInChI=1S/C26H30O6/c1-15(2)13-29-25(27)31-23-19-11-7-10-18(6)22(19)24(32-26(28)30-14-16(3)4)20-12-8-9-17(5)21(20)23/h7-12,15-16H,13-14H2,1-6H3
InChIKeyCWSABCBQWAHYGZ-UHFFFAOYSA-N
MW438.52 g/mol
LogP6.95
Rot. Bonds6

About [1,5-dimethyl-10-(2-methylpropoxycarbonyloxy)anthracen-9-yl] 2-methylpropyl carbonate

[1,5-dimethyl-10-(2-methylpropoxycarbonyloxy)anthracen-9-yl] 2-methylpropyl carbonate (PubChem CID 135239802) has the molecular formula C26H30O6 and a molecular weight of 438.52 g/mol. Its IUPAC name is [1,5-dimethyl-10-(2-methylpropoxycarbonyloxy)anthracen-9-yl] 2-methylpropyl carbonate.

Molecular Properties

Compound Name[1,5-dimethyl-10-(2-methylpropoxycarbonyloxy)anthracen-9-yl] 2-methylpropyl carbonate
PubChem CID135239802
Molecular FormulaC26H30O6
Molecular Weight438.52 g/mol
Exact Mass438.20
IUPAC Name[1,5-dimethyl-10-(2-methylpropoxycarbonyloxy)anthracen-9-yl] 2-methylpropyl carbonate
SMILESCc1cccc2c(OC(=O)OCC(C)C)c3c(C)cccc3c(OC(=O)OCC(C)C)c12
InChIInChI=1S/C26H30O6/c1-15(2)13-29-25(27)31-23-19-11-7-10-18(6)22(19)24(32-26(28)30-14-16(3)4)20-12-8-9-17(5)21(20)23/h7-12,15-16H,13-14H2,1-6H3
InChIKeyCWSABCBQWAHYGZ-UHFFFAOYSA-N
XLogP6.95
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.52
LogP ≤ 56.95
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 [1,5-dimethyl-10-(2-methylpropoxycarbonyloxy)anthracen-9-yl] 2-methylpropyl 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

(10-butoxycarbonyloxy-1,5-dimethylanthracen-9-yl) butyl carbonate;[1,5-dimethyl-10-(2-methylpropoxycarbonyloxy)anthracen-9-yl] 2-methylpropyl carbonate
CID 135239801
(1,5-dimethyl-10-propoxycarbonyloxyanthracen-9-yl) propyl carbonate
CID 135239804
[2,3-dimethyl-10-(2-methylpropoxycarbonyloxy)anthracen-9-yl] 2-methylpropyl carbonate
CID 135239613
[2-methyl-3-(2-methylpropoxycarbonyloxy)phenyl] 2-methylpropyl carbonate
CID 6429237
[4-(2-methylpropoxycarbonyloxy)-2-phenoxynaphthalen-1-yl] 2-methylpropyl carbonate
CID 153323186
2-methylpropyl (3-oxo-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl) carbonate
CID 72737237
2-methylpropyl 3-methyl-2-(2-methylpropoxy)benzoate
CID 141402360
2-methylpropyl 2-bromo-3-methylbenzoate
CID 171989965
(7-hydroxy-1H-indol-2-yl) 2-methylpropyl carbonate
CID 70474454
(2-butoxycarbonyloxyphenyl) 2-methylpropyl carbonate
CID 91704527
2-methylpropyl perylen-3-ylmethyl carbonate;perylen-3-ylmethanol
CID 167564954
2-methylpropyl 3-(2,6-dimethylphenyl)-3-oxo-2-phenylpropanoate
CID 18515031

Frequently Asked Questions

What is the IUPAC name of [1,5-dimethyl-10-(2-methylpropoxycarbonyloxy)anthracen-9-yl] 2-methylpropyl carbonate?
The IUPAC name of [1,5-dimethyl-10-(2-methylpropoxycarbonyloxy)anthracen-9-yl] 2-methylpropyl carbonate (CID 135239802) is [1,5-dimethyl-10-(2-methylpropoxycarbonyloxy)anthracen-9-yl] 2-methylpropyl carbonate.
What is the SMILES notation for [1,5-dimethyl-10-(2-methylpropoxycarbonyloxy)anthracen-9-yl] 2-methylpropyl carbonate?
The canonical SMILES for [1,5-dimethyl-10-(2-methylpropoxycarbonyloxy)anthracen-9-yl] 2-methylpropyl carbonate is Cc1cccc2c(OC(=O)OCC(C)C)c3c(C)cccc3c(OC(=O)OCC(C)C)c12.
What is the InChIKey of [1,5-dimethyl-10-(2-methylpropoxycarbonyloxy)anthracen-9-yl] 2-methylpropyl carbonate?
The InChIKey is CWSABCBQWAHYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O6/c1-15(2)13-29-25(27)31-23-19-11-7-10-18(6)22(19)24(32-26(28)30-14-16(3)4)20-12-8-9-17(5)21(20)23/h7-12,15-16H,13-14H2,1-6H3.
What are the key properties of [1,5-dimethyl-10-(2-methylpropoxycarbonyloxy)anthracen-9-yl] 2-methylpropyl carbonate?
[1,5-dimethyl-10-(2-methylpropoxycarbonyloxy)anthracen-9-yl] 2-methylpropyl carbonate has a molecular weight of 438.52 g/mol, XLogP of 6.95, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1,5-dimethyl-10-(2-methylpropoxycarbonyloxy)anthracen-9-yl] 2-methylpropyl carbonate is sourced from PubChem (CID 135239802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).