2,3-didecoxyanthracene-9,10-dione

C34H48O4 — CID 15364819

IUPAC2,3-didecoxyanthracene-9,10-dione
SMILESCCCCCCCCCCOc1cc2c(cc1OCCCCCCCCCC)C(=O)c1ccccc1C2=O
InChIInChI=1S/C34H48O4/c1-3-5-7-9-11-13-15-19-23-37-31-25-29-30(34(36)28-22-18-17-21-27(28)33(29)35)26-32(31)38-24-20-16-14-12-10-8-6-4-2/h17-18,21-22,25-26H,3-16,19-20,23-24H2,1-2H3
InChIKeyBJMPORLYEDMMHY-UHFFFAOYSA-N
MW520.75 g/mol
LogP9.50
Rot. Bonds20

About 2,3-didecoxyanthracene-9,10-dione

2,3-didecoxyanthracene-9,10-dione (PubChem CID 15364819) has the molecular formula C34H48O4 and a molecular weight of 520.75 g/mol. Its IUPAC name is 2,3-didecoxyanthracene-9,10-dione.

Molecular Properties

Compound Name2,3-didecoxyanthracene-9,10-dione
PubChem CID15364819
Molecular FormulaC34H48O4
Molecular Weight520.75 g/mol
Exact Mass520.36
IUPAC Name2,3-didecoxyanthracene-9,10-dione
SMILESCCCCCCCCCCOc1cc2c(cc1OCCCCCCCCCC)C(=O)c1ccccc1C2=O
InChIInChI=1S/C34H48O4/c1-3-5-7-9-11-13-15-19-23-37-31-25-29-30(34(36)28-22-18-17-21-27(28)33(29)35)26-32(31)38-24-20-16-14-12-10-8-6-4-2/h17-18,21-22,25-26H,3-16,19-20,23-24H2,1-2H3
InChIKeyBJMPORLYEDMMHY-UHFFFAOYSA-N
XLogP9.50
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.75
LogP ≤ 59.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-didecoxyanthracene-9,10-dione?
The IUPAC name of 2,3-didecoxyanthracene-9,10-dione (CID 15364819) is 2,3-didecoxyanthracene-9,10-dione.
What is the SMILES notation for 2,3-didecoxyanthracene-9,10-dione?
The canonical SMILES for 2,3-didecoxyanthracene-9,10-dione is CCCCCCCCCCOc1cc2c(cc1OCCCCCCCCCC)C(=O)c1ccccc1C2=O.
What is the InChIKey of 2,3-didecoxyanthracene-9,10-dione?
The InChIKey is BJMPORLYEDMMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H48O4/c1-3-5-7-9-11-13-15-19-23-37-31-25-29-30(34(36)28-22-18-17-21-27(28)33(29)35)26-32(31)38-24-20-16-14-12-10-8-6-4-2/h17-18,21-22,25-26H,3-16,19-20,23-24H2,1-2H3.
What are the key properties of 2,3-didecoxyanthracene-9,10-dione?
2,3-didecoxyanthracene-9,10-dione has a molecular weight of 520.75 g/mol, XLogP of 9.50, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-didecoxyanthracene-9,10-dione is sourced from PubChem (CID 15364819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).