5,8,9,10-tetra(propan-2-yloxy)-1,4-dihydroanthracene

C26H36O4 — CID 154335626

IUPAC5,8,9,10-tetra(propan-2-yloxy)-1,4-dihydroanthracene
SMILESCC(C)Oc1ccc(OC(C)C)c2c(OC(C)C)c3c(c(OC(C)C)c12)CC=CC3
InChIInChI=1S/C26H36O4/c1-15(2)27-21-13-14-22(28-16(3)4)24-23(21)25(29-17(5)6)19-11-9-10-12-20(19)26(24)30-18(7)8/h9-10,13-18H,11-12H2,1-8H3
InChIKeyNSUTWMRVVCJRLT-UHFFFAOYSA-N
MW412.57 g/mol
LogP6.64
Rot. Bonds8

About 5,8,9,10-tetra(propan-2-yloxy)-1,4-dihydroanthracene

5,8,9,10-tetra(propan-2-yloxy)-1,4-dihydroanthracene (PubChem CID 154335626) has the molecular formula C26H36O4 and a molecular weight of 412.57 g/mol. Its IUPAC name is 5,8,9,10-tetra(propan-2-yloxy)-1,4-dihydroanthracene.

Molecular Properties

Compound Name5,8,9,10-tetra(propan-2-yloxy)-1,4-dihydroanthracene
PubChem CID154335626
Molecular FormulaC26H36O4
Molecular Weight412.57 g/mol
Exact Mass412.26
IUPAC Name5,8,9,10-tetra(propan-2-yloxy)-1,4-dihydroanthracene
SMILESCC(C)Oc1ccc(OC(C)C)c2c(OC(C)C)c3c(c(OC(C)C)c12)CC=CC3
InChIInChI=1S/C26H36O4/c1-15(2)27-21-13-14-22(28-16(3)4)24-23(21)25(29-17(5)6)19-11-9-10-12-20(19)26(24)30-18(7)8/h9-10,13-18H,11-12H2,1-8H3
InChIKeyNSUTWMRVVCJRLT-UHFFFAOYSA-N
XLogP6.64
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.57
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,8,9,10-tetra(propan-2-yloxy)-1,4-dihydroanthracene?
The IUPAC name of 5,8,9,10-tetra(propan-2-yloxy)-1,4-dihydroanthracene (CID 154335626) is 5,8,9,10-tetra(propan-2-yloxy)-1,4-dihydroanthracene.
What is the SMILES notation for 5,8,9,10-tetra(propan-2-yloxy)-1,4-dihydroanthracene?
The canonical SMILES for 5,8,9,10-tetra(propan-2-yloxy)-1,4-dihydroanthracene is CC(C)Oc1ccc(OC(C)C)c2c(OC(C)C)c3c(c(OC(C)C)c12)CC=CC3.
What is the InChIKey of 5,8,9,10-tetra(propan-2-yloxy)-1,4-dihydroanthracene?
The InChIKey is NSUTWMRVVCJRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36O4/c1-15(2)27-21-13-14-22(28-16(3)4)24-23(21)25(29-17(5)6)19-11-9-10-12-20(19)26(24)30-18(7)8/h9-10,13-18H,11-12H2,1-8H3.
What are the key properties of 5,8,9,10-tetra(propan-2-yloxy)-1,4-dihydroanthracene?
5,8,9,10-tetra(propan-2-yloxy)-1,4-dihydroanthracene has a molecular weight of 412.57 g/mol, XLogP of 6.64, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8,9,10-tetra(propan-2-yloxy)-1,4-dihydroanthracene is sourced from PubChem (CID 154335626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).