2-methyl-5-[(E)-7-trimethylsilylhept-6-en-3-yl]oxycyclohexa-2,5-diene-1,4-dione

C17H26O3Si — CID 102283013

IUPAC2-methyl-5-[(E)-7-trimethylsilylhept-6-en-3-yl]oxycyclohexa-2,5-diene-1,4-dione
SMILESCCC(CC/C=C/[Si](C)(C)C)OC1=CC(=O)C(C)=CC1=O
InChIInChI=1S/C17H26O3Si/c1-6-14(9-7-8-10-21(3,4)5)20-17-12-15(18)13(2)11-16(17)19/h8,10-12,14H,6-7,9H2,1-5H3/b10-8+
InChIKeyACEPKNSMTJJXJG-CSKARUKUSA-N
MW306.48 g/mol
LogP3.98
Rot. Bonds7

About 2-methyl-5-[(E)-7-trimethylsilylhept-6-en-3-yl]oxycyclohexa-2,5-diene-1,4-dione

2-methyl-5-[(E)-7-trimethylsilylhept-6-en-3-yl]oxycyclohexa-2,5-diene-1,4-dione (PubChem CID 102283013) has the molecular formula C17H26O3Si and a molecular weight of 306.48 g/mol. Its IUPAC name is 2-methyl-5-[(E)-7-trimethylsilylhept-6-en-3-yl]oxycyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Name2-methyl-5-[(E)-7-trimethylsilylhept-6-en-3-yl]oxycyclohexa-2,5-diene-1,4-dione
PubChem CID102283013
Molecular FormulaC17H26O3Si
Molecular Weight306.48 g/mol
Exact Mass306.17
IUPAC Name2-methyl-5-[(E)-7-trimethylsilylhept-6-en-3-yl]oxycyclohexa-2,5-diene-1,4-dione
SMILESCCC(CC/C=C/[Si](C)(C)C)OC1=CC(=O)C(C)=CC1=O
InChIInChI=1S/C17H26O3Si/c1-6-14(9-7-8-10-21(3,4)5)20-17-12-15(18)13(2)11-16(17)19/h8,10-12,14H,6-7,9H2,1-5H3/b10-8+
InChIKeyACEPKNSMTJJXJG-CSKARUKUSA-N
XLogP3.98
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 ≤ 53.98
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

2,3-Dimethoxy-5-(trimethylsilylmethyl)cyclohexa-2,5-diene-1,4-dione
CID 14689914
2-Butyl-3-methoxy-5-(trimethylsilylmethyl)cyclohexa-2,5-diene-1,4-dione
CID 14689918
3-Ethoxy-1-[ethoxy-(3-ethoxy-4-oxohex-5-enyl)-sulfanylsilyl]hex-2-en-1-one
CID 175449886
(2E,6E)-5-[(2-methylpropan-2-yl)oxy]-6-(trimethylsilylmethylidene)nona-2,8-dien-4-one
CID 10469740
[(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
[(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)-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
[(Z)-2-methyl-2-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)oxy-7-trimethylsilylhept-5-en-3-yl] acetate
CID 102306550

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(E)-7-trimethylsilylhept-6-en-3-yl]oxycyclohexa-2,5-diene-1,4-dione?
The IUPAC name of 2-methyl-5-[(E)-7-trimethylsilylhept-6-en-3-yl]oxycyclohexa-2,5-diene-1,4-dione (CID 102283013) is 2-methyl-5-[(E)-7-trimethylsilylhept-6-en-3-yl]oxycyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for 2-methyl-5-[(E)-7-trimethylsilylhept-6-en-3-yl]oxycyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for 2-methyl-5-[(E)-7-trimethylsilylhept-6-en-3-yl]oxycyclohexa-2,5-diene-1,4-dione is CCC(CC/C=C/[Si](C)(C)C)OC1=CC(=O)C(C)=CC1=O.
What is the InChIKey of 2-methyl-5-[(E)-7-trimethylsilylhept-6-en-3-yl]oxycyclohexa-2,5-diene-1,4-dione?
The InChIKey is ACEPKNSMTJJXJG-CSKARUKUSA-N. The full InChI is InChI=1S/C17H26O3Si/c1-6-14(9-7-8-10-21(3,4)5)20-17-12-15(18)13(2)11-16(17)19/h8,10-12,14H,6-7,9H2,1-5H3/b10-8+.
What are the key properties of 2-methyl-5-[(E)-7-trimethylsilylhept-6-en-3-yl]oxycyclohexa-2,5-diene-1,4-dione?
2-methyl-5-[(E)-7-trimethylsilylhept-6-en-3-yl]oxycyclohexa-2,5-diene-1,4-dione has a molecular weight of 306.48 g/mol, XLogP of 3.98, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(E)-7-trimethylsilylhept-6-en-3-yl]oxycyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 102283013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).