1-methyl-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroanthracene-9,10-dione

C15H22O2 — CID 69029801

IUPAC1-methyl-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroanthracene-9,10-dione
SMILESCC1CCCC2C(=O)C3CCCCC3C(=O)C12
InChIInChI=1S/C15H22O2/c1-9-5-4-8-12-13(9)15(17)11-7-3-2-6-10(11)14(12)16/h9-13H,2-8H2,1H3
InChIKeyDSNQUSIABJITOZ-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.00
Rot. Bonds

About 1-methyl-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroanthracene-9,10-dione

1-methyl-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroanthracene-9,10-dione (PubChem CID 69029801) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-methyl-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroanthracene-9,10-dione.

Molecular Properties

Compound Name1-methyl-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroanthracene-9,10-dione
PubChem CID69029801
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name1-methyl-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroanthracene-9,10-dione
SMILESCC1CCCC2C(=O)C3CCCCC3C(=O)C12
InChIInChI=1S/C15H22O2/c1-9-5-4-8-12-13(9)15(17)11-7-3-2-6-10(11)14(12)16/h9-13H,2-8H2,1H3
InChIKeyDSNQUSIABJITOZ-UHFFFAOYSA-N
XLogP3.00
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroanthracene-9,10-dione?
The IUPAC name of 1-methyl-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroanthracene-9,10-dione (CID 69029801) is 1-methyl-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroanthracene-9,10-dione.
What is the SMILES notation for 1-methyl-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroanthracene-9,10-dione?
The canonical SMILES for 1-methyl-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroanthracene-9,10-dione is CC1CCCC2C(=O)C3CCCCC3C(=O)C12.
What is the InChIKey of 1-methyl-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroanthracene-9,10-dione?
The InChIKey is DSNQUSIABJITOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-9-5-4-8-12-13(9)15(17)11-7-3-2-6-10(11)14(12)16/h9-13H,2-8H2,1H3.
What are the key properties of 1-methyl-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroanthracene-9,10-dione?
1-methyl-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroanthracene-9,10-dione has a molecular weight of 234.34 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroanthracene-9,10-dione is sourced from PubChem (CID 69029801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).