4a,9a-dihydroanthracene-9,10-dione;ethane

C18H22O2 — CID 90920478

IUPAC4a,9a-dihydroanthracene-9,10-dione;ethane
SMILESCC.CC.O=C1c2ccccc2C(=O)C2C=CC=CC12
InChIInChI=1S/C14H10O2.2C2H6/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;2*1-2/h1-10H;2*1-2H3
InChIKeyODBKEKKDXNAOET-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.48
Rot. Bonds

About 4a,9a-dihydroanthracene-9,10-dione;ethane

4a,9a-dihydroanthracene-9,10-dione;ethane (PubChem CID 90920478) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 4a,9a-dihydroanthracene-9,10-dione;ethane.

Molecular Properties

Compound Name4a,9a-dihydroanthracene-9,10-dione;ethane
PubChem CID90920478
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name4a,9a-dihydroanthracene-9,10-dione;ethane
SMILESCC.CC.O=C1c2ccccc2C(=O)C2C=CC=CC12
InChIInChI=1S/C14H10O2.2C2H6/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;2*1-2/h1-10H;2*1-2H3
InChIKeyODBKEKKDXNAOET-UHFFFAOYSA-N
XLogP4.48
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_gamma(5)', 'substructure': 'N/A'}

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Related Compounds

(4aS,9aS)-10-methyl-4a,9a-dihydroacridin-9-one
CID 825903
(4aS,9aR)-9a,10-dihydro-4aH-anthracen-9-one
CID 7057091
2-bromo-4a,9a-dihydroanthracene-9,10-dione
CID 58831227
5-hydroxysulfanyl-4a,9a-dihydroanthracene-9,10-dione
CID 70881497
4a,8a-dihydronaphthalene-1,4-dione;naphthalene-1,4-dione
CID 158641233
5,8-dimethyl-4a,9a-dihydroanthracene-9,10-dione
CID 59809381
1-aminooxy-4a,9a-dihydroanthracene-9,10-dione
CID 163860417
(6aR,11cR)-3-bromo-6a,11c-dihydrobenzo[a]phenalen-7-one
CID 8022545
bis(2-benzofuran-1,3-dione);ethane
CID 143680396
(4aR,9aS)-9,10-dioxo-4a,9a-dihydroanthracene-2-carboxylic acid
CID 7173899
14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,10,12-hexaen-8-one
CID 10398628
2-hydroxyindene-1,3-dione
CID 10219583

Frequently Asked Questions

What is the IUPAC name of 4a,9a-dihydroanthracene-9,10-dione;ethane?
The IUPAC name of 4a,9a-dihydroanthracene-9,10-dione;ethane (CID 90920478) is 4a,9a-dihydroanthracene-9,10-dione;ethane.
What is the SMILES notation for 4a,9a-dihydroanthracene-9,10-dione;ethane?
The canonical SMILES for 4a,9a-dihydroanthracene-9,10-dione;ethane is CC.CC.O=C1c2ccccc2C(=O)C2C=CC=CC12.
What is the InChIKey of 4a,9a-dihydroanthracene-9,10-dione;ethane?
The InChIKey is ODBKEKKDXNAOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O2.2C2H6/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;2*1-2/h1-10H;2*1-2H3.
What are the key properties of 4a,9a-dihydroanthracene-9,10-dione;ethane?
4a,9a-dihydroanthracene-9,10-dione;ethane has a molecular weight of 270.37 g/mol, XLogP of 4.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,9a-dihydroanthracene-9,10-dione;ethane is sourced from PubChem (CID 90920478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).