2-methyl-5-[(Z)-2-methyl-6-trimethylsilylhex-4-enoxy]cyclohexa-2,5-diene-1,4-dione

C17H26O3Si — CID 71486383

IUPAC2-methyl-5-[(Z)-2-methyl-6-trimethylsilylhex-4-enoxy]cyclohexa-2,5-diene-1,4-dione
SMILESCC1=CC(=O)C(OCC(C)C/C=C\C[Si](C)(C)C)=CC1=O
InChIInChI=1S/C17H26O3Si/c1-13(8-6-7-9-21(3,4)5)12-20-17-11-15(18)14(2)10-16(17)19/h6-7,10-11,13H,8-9,12H2,1-5H3/b7-6-
InChIKeyYCDXERBWQUEAFD-SREVYHEPSA-N
MW306.48 g/mol
LogP3.91
Rot. Bonds7

About 2-methyl-5-[(Z)-2-methyl-6-trimethylsilylhex-4-enoxy]cyclohexa-2,5-diene-1,4-dione

2-methyl-5-[(Z)-2-methyl-6-trimethylsilylhex-4-enoxy]cyclohexa-2,5-diene-1,4-dione (PubChem CID 71486383) has the molecular formula C17H26O3Si and a molecular weight of 306.48 g/mol. Its IUPAC name is 2-methyl-5-[(Z)-2-methyl-6-trimethylsilylhex-4-enoxy]cyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Name2-methyl-5-[(Z)-2-methyl-6-trimethylsilylhex-4-enoxy]cyclohexa-2,5-diene-1,4-dione
PubChem CID71486383
Molecular FormulaC17H26O3Si
Molecular Weight306.48 g/mol
Exact Mass306.17
IUPAC Name2-methyl-5-[(Z)-2-methyl-6-trimethylsilylhex-4-enoxy]cyclohexa-2,5-diene-1,4-dione
SMILESCC1=CC(=O)C(OCC(C)C/C=C\C[Si](C)(C)C)=CC1=O
InChIInChI=1S/C17H26O3Si/c1-13(8-6-7-9-21(3,4)5)12-20-17-11-15(18)14(2)10-16(17)19/h6-7,10-11,13H,8-9,12H2,1-5H3/b7-6-
InChIKeyYCDXERBWQUEAFD-SREVYHEPSA-N
XLogP3.91
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 53.91
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,3-Dimethoxy-5-(trimethylsilylmethyl)cyclohexa-2,5-diene-1,4-dione
CID 14689914
1-Methoxy-4-(2-methyl-3-trimethylsilylcycloprop-2-en-1-yl)but-3-en-2-one
CID 123857518
(E)-1-methoxy-4-(2-methyl-3-trimethylsilylcycloprop-2-en-1-yl)but-3-en-2-one
CID 140670894
Californium;2-[3-[methoxy(dimethyl)silyl]propoxy]-2-methyl-1-phenylpropan-1-one
CID 153467673
[(Z)-1-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)oxy-6-trimethylsilylhex-4-en-2-yl] acetate
CID 71486382
2-methyl-5-[(Z)-7-trimethylsilylhept-5-en-2-yl]oxycyclohexa-2,5-diene-1,4-dione
CID 71486527
2-methyl-5-[(E)-6-trimethylsilylhex-4-enoxy]cyclohexa-2,5-diene-1,4-dione
CID 71486532
2-methyl-5-[(E)-5-trimethylsilylpent-3-enoxy]cyclohexa-2,5-diene-1,4-dione
CID 71486533
2-methyl-5-[(E)-7-trimethylsilylhept-6-en-3-yl]oxycyclohexa-2,5-diene-1,4-dione
CID 102283013
2-methyl-5-[(Z)-6-trimethylsilylhex-4-enoxy]cyclohexa-2,5-diene-1,4-dione
CID 102306553
2-methyl-5-[(Z)-7-trimethylsilylhept-5-enoxy]cyclohexa-2,5-diene-1,4-dione
CID 102306554
2-methyl-5-[(E)-7-trimethylsilylhept-5-enoxy]cyclohexa-2,5-diene-1,4-dione
CID 102306555

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(Z)-2-methyl-6-trimethylsilylhex-4-enoxy]cyclohexa-2,5-diene-1,4-dione?
The IUPAC name of 2-methyl-5-[(Z)-2-methyl-6-trimethylsilylhex-4-enoxy]cyclohexa-2,5-diene-1,4-dione (CID 71486383) is 2-methyl-5-[(Z)-2-methyl-6-trimethylsilylhex-4-enoxy]cyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for 2-methyl-5-[(Z)-2-methyl-6-trimethylsilylhex-4-enoxy]cyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for 2-methyl-5-[(Z)-2-methyl-6-trimethylsilylhex-4-enoxy]cyclohexa-2,5-diene-1,4-dione is CC1=CC(=O)C(OCC(C)C/C=C\C[Si](C)(C)C)=CC1=O.
What is the InChIKey of 2-methyl-5-[(Z)-2-methyl-6-trimethylsilylhex-4-enoxy]cyclohexa-2,5-diene-1,4-dione?
The InChIKey is YCDXERBWQUEAFD-SREVYHEPSA-N. The full InChI is InChI=1S/C17H26O3Si/c1-13(8-6-7-9-21(3,4)5)12-20-17-11-15(18)14(2)10-16(17)19/h6-7,10-11,13H,8-9,12H2,1-5H3/b7-6-.
What are the key properties of 2-methyl-5-[(Z)-2-methyl-6-trimethylsilylhex-4-enoxy]cyclohexa-2,5-diene-1,4-dione?
2-methyl-5-[(Z)-2-methyl-6-trimethylsilylhex-4-enoxy]cyclohexa-2,5-diene-1,4-dione has a molecular weight of 306.48 g/mol, XLogP of 3.91, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(Z)-2-methyl-6-trimethylsilylhex-4-enoxy]cyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 71486383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).