[(Z)-1-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)oxy-6-trimethylsilylhex-4-en-2-yl] acetate

C18H26O5Si — CID 71486382

IUPAC[(Z)-1-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)oxy-6-trimethylsilylhex-4-en-2-yl] acetate
SMILESCC(=O)OC(C/C=C\C[Si](C)(C)C)COC1=CC(=O)C(C)=CC1=O
InChIInChI=1S/C18H26O5Si/c1-13-10-17(21)18(11-16(13)20)22-12-15(23-14(2)19)8-6-7-9-24(3,4)5/h6-7,10-11,15H,8-9,12H2,1-5H3/b7-6-
InChIKeyOVMPQMZNADNPKG-SREVYHEPSA-N
MW350.49 g/mol
LogP3.20
Rot. Bonds8

About [(Z)-1-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)oxy-6-trimethylsilylhex-4-en-2-yl] acetate

[(Z)-1-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)oxy-6-trimethylsilylhex-4-en-2-yl] acetate (PubChem CID 71486382) has the molecular formula C18H26O5Si and a molecular weight of 350.49 g/mol. Its IUPAC name is [(Z)-1-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)oxy-6-trimethylsilylhex-4-en-2-yl] acetate.

Molecular Properties

Compound Name[(Z)-1-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)oxy-6-trimethylsilylhex-4-en-2-yl] acetate
PubChem CID71486382
Molecular FormulaC18H26O5Si
Molecular Weight350.49 g/mol
Exact Mass350.15
IUPAC Name[(Z)-1-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)oxy-6-trimethylsilylhex-4-en-2-yl] acetate
SMILESCC(=O)OC(C/C=C\C[Si](C)(C)C)COC1=CC(=O)C(C)=CC1=O
InChIInChI=1S/C18H26O5Si/c1-13-10-17(21)18(11-16(13)20)22-12-15(23-14(2)19)8-6-7-9-24(3,4)5/h6-7,10-11,15H,8-9,12H2,1-5H3/b7-6-
InChIKeyOVMPQMZNADNPKG-SREVYHEPSA-N
XLogP3.20
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

[(Z,3S)-2-methyl-2-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)oxy-7-trimethylsilylhept-5-en-3-yl] acetate
CID 71484152
2-methyl-5-[(Z)-2-methyl-7-trimethylsilyl-3-tri(propan-2-yl)silyloxyhept-5-en-2-yl]oxycyclohexa-2,5-diene-1,4-dione
CID 71486242
2-methyl-5-[(Z)-2-methyl-6-trimethylsilylhex-4-enoxy]cyclohexa-2,5-diene-1,4-dione
CID 71486383
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
[(Z)-2-methyl-2-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)oxy-7-trimethylsilylhept-5-en-3-yl] acetate
CID 102306550
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 [(Z)-1-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)oxy-6-trimethylsilylhex-4-en-2-yl] acetate?
The IUPAC name of [(Z)-1-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)oxy-6-trimethylsilylhex-4-en-2-yl] acetate (CID 71486382) is [(Z)-1-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)oxy-6-trimethylsilylhex-4-en-2-yl] acetate.
What is the SMILES notation for [(Z)-1-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)oxy-6-trimethylsilylhex-4-en-2-yl] acetate?
The canonical SMILES for [(Z)-1-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)oxy-6-trimethylsilylhex-4-en-2-yl] acetate is CC(=O)OC(C/C=C\C[Si](C)(C)C)COC1=CC(=O)C(C)=CC1=O.
What is the InChIKey of [(Z)-1-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)oxy-6-trimethylsilylhex-4-en-2-yl] acetate?
The InChIKey is OVMPQMZNADNPKG-SREVYHEPSA-N. The full InChI is InChI=1S/C18H26O5Si/c1-13-10-17(21)18(11-16(13)20)22-12-15(23-14(2)19)8-6-7-9-24(3,4)5/h6-7,10-11,15H,8-9,12H2,1-5H3/b7-6-.
What are the key properties of [(Z)-1-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)oxy-6-trimethylsilylhex-4-en-2-yl] acetate?
[(Z)-1-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)oxy-6-trimethylsilylhex-4-en-2-yl] acetate has a molecular weight of 350.49 g/mol, XLogP of 3.20, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)oxy-6-trimethylsilylhex-4-en-2-yl] acetate is sourced from PubChem (CID 71486382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).