2,3,5-trimethyl-6-(3-methylnon-2-enyl)cyclohexa-2,5-diene-1,4-dione

C19H28O2 — CID 66935943

IUPAC2,3,5-trimethyl-6-(3-methylnon-2-enyl)cyclohexa-2,5-diene-1,4-dione
SMILESCCCCCCC(C)=CCC1=C(C)C(=O)C(C)=C(C)C1=O
InChIInChI=1S/C19H28O2/c1-6-7-8-9-10-13(2)11-12-17-16(5)18(20)14(3)15(4)19(17)21/h11H,6-10,12H2,1-5H3
InChIKeyFJQDVUOFSWABTE-UHFFFAOYSA-N
MW288.43 g/mol
LogP5.10
Rot. Bonds7

About 2,3,5-trimethyl-6-(3-methylnon-2-enyl)cyclohexa-2,5-diene-1,4-dione

2,3,5-trimethyl-6-(3-methylnon-2-enyl)cyclohexa-2,5-diene-1,4-dione (PubChem CID 66935943) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is 2,3,5-trimethyl-6-(3-methylnon-2-enyl)cyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Name2,3,5-trimethyl-6-(3-methylnon-2-enyl)cyclohexa-2,5-diene-1,4-dione
PubChem CID66935943
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name2,3,5-trimethyl-6-(3-methylnon-2-enyl)cyclohexa-2,5-diene-1,4-dione
SMILESCCCCCCC(C)=CCC1=C(C)C(=O)C(C)=C(C)C1=O
InChIInChI=1S/C19H28O2/c1-6-7-8-9-10-13(2)11-12-17-16(5)18(20)14(3)15(4)19(17)21/h11H,6-10,12H2,1-5H3
InChIKeyFJQDVUOFSWABTE-UHFFFAOYSA-N
XLogP5.10
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.43
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,2,3,4,5-pentamethyl-6-[(E)-3-methylnon-2-enyl]benzene
CID 143532776
4-methylheptadec-3-ene
CID 59169426
7-methylhenicos-7-ene
CID 173033031
6-methyldocos-6-ene
CID 629460
(E)-9-methylnonadec-9-ene
CID 14783585
(E)-10-methylnonadec-9-ene
CID 5364653
7-methyloctadec-7-ene
CID 123477460
(E)-6-methylpentadec-5-ene;(E)-6-methylpentadec-6-ene
CID 54602757
[(E)-3-methyloct-2-enyl]benzene
CID 12622229
(Z)-12-methylhenicos-11-en-10-one
CID 122379193
(E)-3-methylnonadec-2-ene
CID 23160392
3-methyldec-2-ene
CID 550799

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethyl-6-(3-methylnon-2-enyl)cyclohexa-2,5-diene-1,4-dione?
The IUPAC name of 2,3,5-trimethyl-6-(3-methylnon-2-enyl)cyclohexa-2,5-diene-1,4-dione (CID 66935943) is 2,3,5-trimethyl-6-(3-methylnon-2-enyl)cyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for 2,3,5-trimethyl-6-(3-methylnon-2-enyl)cyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for 2,3,5-trimethyl-6-(3-methylnon-2-enyl)cyclohexa-2,5-diene-1,4-dione is CCCCCCC(C)=CCC1=C(C)C(=O)C(C)=C(C)C1=O.
What is the InChIKey of 2,3,5-trimethyl-6-(3-methylnon-2-enyl)cyclohexa-2,5-diene-1,4-dione?
The InChIKey is FJQDVUOFSWABTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O2/c1-6-7-8-9-10-13(2)11-12-17-16(5)18(20)14(3)15(4)19(17)21/h11H,6-10,12H2,1-5H3.
What are the key properties of 2,3,5-trimethyl-6-(3-methylnon-2-enyl)cyclohexa-2,5-diene-1,4-dione?
2,3,5-trimethyl-6-(3-methylnon-2-enyl)cyclohexa-2,5-diene-1,4-dione has a molecular weight of 288.43 g/mol, XLogP of 5.10, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethyl-6-(3-methylnon-2-enyl)cyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 66935943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).