2,2,5,9-tetramethyl-1,7,8,9-tetrahydrocyclopenta[8]annulene-3,6-dione

C15H20O2 — CID 162965014

IUPAC2,2,5,9-tetramethyl-1,7,8,9-tetrahydrocyclopenta[8]annulene-3,6-dione
SMILESCC1=CC2=C(CC(C)(C)C2=O)C(C)CCC1=O
InChIInChI=1S/C15H20O2/c1-9-5-6-13(16)10(2)7-11-12(9)8-15(3,4)14(11)17/h7,9H,5-6,8H2,1-4H3
InChIKeyPFDJAISCVCEYSA-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.23
Rot. Bonds

About 2,2,5,9-tetramethyl-1,7,8,9-tetrahydrocyclopenta[8]annulene-3,6-dione

2,2,5,9-tetramethyl-1,7,8,9-tetrahydrocyclopenta[8]annulene-3,6-dione (PubChem CID 162965014) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2,2,5,9-tetramethyl-1,7,8,9-tetrahydrocyclopenta[8]annulene-3,6-dione.

Molecular Properties

Compound Name2,2,5,9-tetramethyl-1,7,8,9-tetrahydrocyclopenta[8]annulene-3,6-dione
PubChem CID162965014
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name2,2,5,9-tetramethyl-1,7,8,9-tetrahydrocyclopenta[8]annulene-3,6-dione
SMILESCC1=CC2=C(CC(C)(C)C2=O)C(C)CCC1=O
InChIInChI=1S/C15H20O2/c1-9-5-6-13(16)10(2)7-11-12(9)8-15(3,4)14(11)17/h7,9H,5-6,8H2,1-4H3
InChIKeyPFDJAISCVCEYSA-UHFFFAOYSA-N
XLogP3.23
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(7Z)-3,7-dimethyl-1,3,4,5-tetrahydroazocine-2,6-dione;molecular hydrogen
CID 153361649
(4S)-4-hydroxy-2-methylcyclohex-2-en-1-one
CID 131106116
(3S)-3-methyl-2-methylidenecyclopentan-1-one
CID 11789153
1-chloro-2,2,7-trimethyl-3,5,6,7-tetrahydro-1H-inden-4-one
CID 14165009
8-hydroxy-4,5-dimethyl-3,4-dihydro-2H-naphthalen-1-one
CID 121000728
3,3,8,8,15,15,20,20-octamethyltricyclo[20.2.2.210,13]octacosa-1(25),10,12,22(26),23,27-hexaene-4,5,6,7,16,17,18,19-octone
CID 11490337
7-chloro-4,5,8-trimethyl-3,4-dihydro-2H-naphthalen-1-one
CID 115417433
5-methoxy-2,2-dimethyl-4,5-dihydro-3H-inden-1-one
CID 163215039
(6R)-2,2,6-trimethylcyclohexane-1,4-dione
CID 10176229
2,2,6-trimethylcyclohexane-1,4-dione
CID 30181
1,3,3,4-tetramethyl-2,6,7,7a-tetrahydro-1H-inden-5-one
CID 71389537
2-methyl-4-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]cyclohex-2-en-1-one
CID 18649848

Frequently Asked Questions

What is the IUPAC name of 2,2,5,9-tetramethyl-1,7,8,9-tetrahydrocyclopenta[8]annulene-3,6-dione?
The IUPAC name of 2,2,5,9-tetramethyl-1,7,8,9-tetrahydrocyclopenta[8]annulene-3,6-dione (CID 162965014) is 2,2,5,9-tetramethyl-1,7,8,9-tetrahydrocyclopenta[8]annulene-3,6-dione.
What is the SMILES notation for 2,2,5,9-tetramethyl-1,7,8,9-tetrahydrocyclopenta[8]annulene-3,6-dione?
The canonical SMILES for 2,2,5,9-tetramethyl-1,7,8,9-tetrahydrocyclopenta[8]annulene-3,6-dione is CC1=CC2=C(CC(C)(C)C2=O)C(C)CCC1=O.
What is the InChIKey of 2,2,5,9-tetramethyl-1,7,8,9-tetrahydrocyclopenta[8]annulene-3,6-dione?
The InChIKey is PFDJAISCVCEYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-9-5-6-13(16)10(2)7-11-12(9)8-15(3,4)14(11)17/h7,9H,5-6,8H2,1-4H3.
What are the key properties of 2,2,5,9-tetramethyl-1,7,8,9-tetrahydrocyclopenta[8]annulene-3,6-dione?
2,2,5,9-tetramethyl-1,7,8,9-tetrahydrocyclopenta[8]annulene-3,6-dione has a molecular weight of 232.32 g/mol, XLogP of 3.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,9-tetramethyl-1,7,8,9-tetrahydrocyclopenta[8]annulene-3,6-dione is sourced from PubChem (CID 162965014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).