2-butyl-3-methoxy-5-(trimethylsilylmethyl)cyclohexa-2,5-diene-1,4-dione

C15H24O3Si — CID 14689918

IUPAC2-butyl-3-methoxy-5-(trimethylsilylmethyl)cyclohexa-2,5-diene-1,4-dione
SMILESCCCCC1=C(OC)C(=O)C(C[Si](C)(C)C)=CC1=O
InChIInChI=1S/C15H24O3Si/c1-6-7-8-12-13(16)9-11(10-19(3,4)5)14(17)15(12)18-2/h9H,6-8,10H2,1-5H3
InChIKeyDYWONHHMDIMGFG-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.49
Rot. Bonds6

About 2-butyl-3-methoxy-5-(trimethylsilylmethyl)cyclohexa-2,5-diene-1,4-dione

2-butyl-3-methoxy-5-(trimethylsilylmethyl)cyclohexa-2,5-diene-1,4-dione (PubChem CID 14689918) has the molecular formula C15H24O3Si and a molecular weight of 280.44 g/mol. Its IUPAC name is 2-butyl-3-methoxy-5-(trimethylsilylmethyl)cyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Name2-butyl-3-methoxy-5-(trimethylsilylmethyl)cyclohexa-2,5-diene-1,4-dione
PubChem CID14689918
Molecular FormulaC15H24O3Si
Molecular Weight280.44 g/mol
Exact Mass280.15
IUPAC Name2-butyl-3-methoxy-5-(trimethylsilylmethyl)cyclohexa-2,5-diene-1,4-dione
SMILESCCCCC1=C(OC)C(=O)C(C[Si](C)(C)C)=CC1=O
InChIInChI=1S/C15H24O3Si/c1-6-7-8-12-13(16)9-11(10-19(3,4)5)14(17)15(12)18-2/h9H,6-8,10H2,1-5H3
InChIKeyDYWONHHMDIMGFG-UHFFFAOYSA-N
XLogP3.49
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-Cyclohexadiene-1,4-dione, 2-butyl-6-methoxy-
CID 3017085
Pseudoalteromone A
CID 76450517
2-Methoxy-5-pentylcyclohexa-2,5-diene-1,4-dione
CID 15864843
2,3-Dimethoxy-5-(trimethylsilylmethyl)cyclohexa-2,5-diene-1,4-dione
CID 14689914
3-Butyl-2-methoxy-5-(trimethylsilylmethyl)cyclohexa-2,5-diene-1,4-dione
CID 14689915
5-Butyl-2-methoxy-3-methylcyclohexa-2,5-diene-1,4-dione
CID 13351154
5-Butyl-3-methoxy-2-methylcyclohexa-2,5-diene-1,4-dione
CID 13351155
2-Butyl-5,6-dimethoxy-3-trimethylsilylcyclohexa-2,5-diene-1,4-dione
CID 13460298
5-Butyl-2,3-dimethoxybenzo-1,4-quinone
CID 24973737
2-Butyl-5-methoxycyclohexa-2,5-diene-1,4-dione
CID 10954433
2-Decyl-5-methoxycyclohexa-2,5-diene-1,4-dione
CID 15091458
2-Hexyl-5-methoxycyclohexa-2,5-diene-1,4-dione
CID 15864844

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-methoxy-5-(trimethylsilylmethyl)cyclohexa-2,5-diene-1,4-dione?
The IUPAC name of 2-butyl-3-methoxy-5-(trimethylsilylmethyl)cyclohexa-2,5-diene-1,4-dione (CID 14689918) is 2-butyl-3-methoxy-5-(trimethylsilylmethyl)cyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for 2-butyl-3-methoxy-5-(trimethylsilylmethyl)cyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for 2-butyl-3-methoxy-5-(trimethylsilylmethyl)cyclohexa-2,5-diene-1,4-dione is CCCCC1=C(OC)C(=O)C(C[Si](C)(C)C)=CC1=O.
What is the InChIKey of 2-butyl-3-methoxy-5-(trimethylsilylmethyl)cyclohexa-2,5-diene-1,4-dione?
The InChIKey is DYWONHHMDIMGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3Si/c1-6-7-8-12-13(16)9-11(10-19(3,4)5)14(17)15(12)18-2/h9H,6-8,10H2,1-5H3.
What are the key properties of 2-butyl-3-methoxy-5-(trimethylsilylmethyl)cyclohexa-2,5-diene-1,4-dione?
2-butyl-3-methoxy-5-(trimethylsilylmethyl)cyclohexa-2,5-diene-1,4-dione has a molecular weight of 280.44 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-methoxy-5-(trimethylsilylmethyl)cyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 14689918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).