2-methyl-5-[(E)-5-trimethylsilylpent-3-enoxy]cyclohexa-2,5-diene-1,4-dione

C15H22O3Si — CID 71486533

IUPAC2-methyl-5-[(E)-5-trimethylsilylpent-3-enoxy]cyclohexa-2,5-diene-1,4-dione
SMILESCC1=CC(=O)C(OCC/C=C/C[Si](C)(C)C)=CC1=O
InChIInChI=1S/C15H22O3Si/c1-12-10-14(17)15(11-13(12)16)18-8-6-5-7-9-19(2,3)4/h5,7,10-11H,6,8-9H2,1-4H3/b7-5+
InChIKeyZKTLSMGMQAGURP-FNORWQNLSA-N
MW278.42 g/mol
LogP3.27
Rot. Bonds6

About 2-methyl-5-[(E)-5-trimethylsilylpent-3-enoxy]cyclohexa-2,5-diene-1,4-dione

2-methyl-5-[(E)-5-trimethylsilylpent-3-enoxy]cyclohexa-2,5-diene-1,4-dione (PubChem CID 71486533) has the molecular formula C15H22O3Si and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-methyl-5-[(E)-5-trimethylsilylpent-3-enoxy]cyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Name2-methyl-5-[(E)-5-trimethylsilylpent-3-enoxy]cyclohexa-2,5-diene-1,4-dione
PubChem CID71486533
Molecular FormulaC15H22O3Si
Molecular Weight278.42 g/mol
Exact Mass278.13
IUPAC Name2-methyl-5-[(E)-5-trimethylsilylpent-3-enoxy]cyclohexa-2,5-diene-1,4-dione
SMILESCC1=CC(=O)C(OCC/C=C/C[Si](C)(C)C)=CC1=O
InChIInChI=1S/C15H22O3Si/c1-12-10-14(17)15(11-13(12)16)18-8-6-5-7-9-19(2,3)4/h5,7,10-11H,6,8-9H2,1-4H3/b7-5+
InChIKeyZKTLSMGMQAGURP-FNORWQNLSA-N
XLogP3.27
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(tert-Butyldimethyl)silyloxy-2-methyl-pyran-4-one
CID 58083656
3-Methyl-2-[(2-methylpropan-2-yl)oxy]-5-trimethylsilylcyclohexa-2,5-diene-1,4-dione
CID 14562991
2,3-Dimethoxy-5-(trimethylsilylmethyl)cyclohexa-2,5-diene-1,4-dione
CID 14689914
2-Ethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
CID 11126633
(E)-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylbut-2-en-1-one
CID 11252205
1-(3,4-Dihydro-2H-pyran-6-yl)-2-methylprop-2-en-1-one
CID 46193577
2-Ethoxy-5-methylcyclohexa-2,5-diene-1,4-dione
CID 15657132
(E)-1-(3,4-dihydro-2H-pyran-6-yl)-2,4,4-trimethylpent-2-en-1-one
CID 134933532
(E)-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylpent-2-en-1-one
CID 134985905
2-Ethoxy-6-methylcyclohexa-2,5-diene-1,4-dione
CID 14911945
2-Isopropoxy-5-methylcyclohexa-2,5-diene-1,4-dione
CID 15657133
2-Butoxy-5-methylcyclohexa-2,5-diene-1,4-dione
CID 15657134

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(E)-5-trimethylsilylpent-3-enoxy]cyclohexa-2,5-diene-1,4-dione?
The IUPAC name of 2-methyl-5-[(E)-5-trimethylsilylpent-3-enoxy]cyclohexa-2,5-diene-1,4-dione (CID 71486533) is 2-methyl-5-[(E)-5-trimethylsilylpent-3-enoxy]cyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for 2-methyl-5-[(E)-5-trimethylsilylpent-3-enoxy]cyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for 2-methyl-5-[(E)-5-trimethylsilylpent-3-enoxy]cyclohexa-2,5-diene-1,4-dione is CC1=CC(=O)C(OCC/C=C/C[Si](C)(C)C)=CC1=O.
What is the InChIKey of 2-methyl-5-[(E)-5-trimethylsilylpent-3-enoxy]cyclohexa-2,5-diene-1,4-dione?
The InChIKey is ZKTLSMGMQAGURP-FNORWQNLSA-N. The full InChI is InChI=1S/C15H22O3Si/c1-12-10-14(17)15(11-13(12)16)18-8-6-5-7-9-19(2,3)4/h5,7,10-11H,6,8-9H2,1-4H3/b7-5+.
What are the key properties of 2-methyl-5-[(E)-5-trimethylsilylpent-3-enoxy]cyclohexa-2,5-diene-1,4-dione?
2-methyl-5-[(E)-5-trimethylsilylpent-3-enoxy]cyclohexa-2,5-diene-1,4-dione has a molecular weight of 278.42 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(E)-5-trimethylsilylpent-3-enoxy]cyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 71486533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).