(2,7-dimethyl-10-propan-2-yloxycarbonyloxyanthracen-9-yl) propan-2-yl carbonate

C24H26O6 — CID 135239669

IUPAC(2,7-dimethyl-10-propan-2-yloxycarbonyloxyanthracen-9-yl) propan-2-yl carbonate
SMILESCc1ccc2c(OC(=O)OC(C)C)c3ccc(C)cc3c(OC(=O)OC(C)C)c2c1
InChIInChI=1S/C24H26O6/c1-13(2)27-23(25)29-21-17-9-7-15(5)11-19(17)22(30-24(26)28-14(3)4)20-12-16(6)8-10-18(20)21/h7-14H,1-6H3
InChIKeyDGHMCWKJNFYIDQ-UHFFFAOYSA-N
MW410.47 g/mol
LogP6.46
Rot. Bonds4

About (2,7-dimethyl-10-propan-2-yloxycarbonyloxyanthracen-9-yl) propan-2-yl carbonate

(2,7-dimethyl-10-propan-2-yloxycarbonyloxyanthracen-9-yl) propan-2-yl carbonate (PubChem CID 135239669) has the molecular formula C24H26O6 and a molecular weight of 410.47 g/mol. Its IUPAC name is (2,7-dimethyl-10-propan-2-yloxycarbonyloxyanthracen-9-yl) propan-2-yl carbonate.

Molecular Properties

Compound Name(2,7-dimethyl-10-propan-2-yloxycarbonyloxyanthracen-9-yl) propan-2-yl carbonate
PubChem CID135239669
Molecular FormulaC24H26O6
Molecular Weight410.47 g/mol
Exact Mass410.17
IUPAC Name(2,7-dimethyl-10-propan-2-yloxycarbonyloxyanthracen-9-yl) propan-2-yl carbonate
SMILESCc1ccc2c(OC(=O)OC(C)C)c3ccc(C)cc3c(OC(=O)OC(C)C)c2c1
InChIInChI=1S/C24H26O6/c1-13(2)27-23(25)29-21-17-9-7-15(5)11-19(17)22(30-24(26)28-14(3)4)20-12-16(6)8-10-18(20)21/h7-14H,1-6H3
InChIKeyDGHMCWKJNFYIDQ-UHFFFAOYSA-N
XLogP6.46
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.47
LogP ≤ 56.46
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'}

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Frequently Asked Questions

What is the IUPAC name of (2,7-dimethyl-10-propan-2-yloxycarbonyloxyanthracen-9-yl) propan-2-yl carbonate?
The IUPAC name of (2,7-dimethyl-10-propan-2-yloxycarbonyloxyanthracen-9-yl) propan-2-yl carbonate (CID 135239669) is (2,7-dimethyl-10-propan-2-yloxycarbonyloxyanthracen-9-yl) propan-2-yl carbonate.
What is the SMILES notation for (2,7-dimethyl-10-propan-2-yloxycarbonyloxyanthracen-9-yl) propan-2-yl carbonate?
The canonical SMILES for (2,7-dimethyl-10-propan-2-yloxycarbonyloxyanthracen-9-yl) propan-2-yl carbonate is Cc1ccc2c(OC(=O)OC(C)C)c3ccc(C)cc3c(OC(=O)OC(C)C)c2c1.
What is the InChIKey of (2,7-dimethyl-10-propan-2-yloxycarbonyloxyanthracen-9-yl) propan-2-yl carbonate?
The InChIKey is DGHMCWKJNFYIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O6/c1-13(2)27-23(25)29-21-17-9-7-15(5)11-19(17)22(30-24(26)28-14(3)4)20-12-16(6)8-10-18(20)21/h7-14H,1-6H3.
What are the key properties of (2,7-dimethyl-10-propan-2-yloxycarbonyloxyanthracen-9-yl) propan-2-yl carbonate?
(2,7-dimethyl-10-propan-2-yloxycarbonyloxyanthracen-9-yl) propan-2-yl carbonate has a molecular weight of 410.47 g/mol, XLogP of 6.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,7-dimethyl-10-propan-2-yloxycarbonyloxyanthracen-9-yl) propan-2-yl carbonate is sourced from PubChem (CID 135239669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).