triethyl-[2,4,4-trimethyl-3-[(1E,3E)-3-methyl-6-trimethylsilylhexa-1,3-dien-5-ynyl]cyclohex-2-en-1-yl]oxysilane

C25H44OSi2 — CID 10884235

IUPACtriethyl-[2,4,4-trimethyl-3-[(1E,3E)-3-methyl-6-trimethylsilylhexa-1,3-dien-5-ynyl]cyclohex-2-en-1-yl]oxysilane
SMILESCC[Si](CC)(CC)OC1CCC(C)(C)C(/C=C/C(C)=C/C#C[Si](C)(C)C)=C1C
InChIInChI=1S/C25H44OSi2/c1-11-28(12-2,13-3)26-24-18-19-25(6,7)23(22(24)5)17-16-21(4)15-14-20-27(8,9)10/h15-17,24H,11-13,18-19H2,1-10H3/b17-16+,21-15+
InChIKeyLZLYSMDZCXZZNK-IUEIKPRBSA-N
MW416.80 g/mol
LogP7.90
Rot. Bonds7

About triethyl-[2,4,4-trimethyl-3-[(1E,3E)-3-methyl-6-trimethylsilylhexa-1,3-dien-5-ynyl]cyclohex-2-en-1-yl]oxysilane

triethyl-[2,4,4-trimethyl-3-[(1E,3E)-3-methyl-6-trimethylsilylhexa-1,3-dien-5-ynyl]cyclohex-2-en-1-yl]oxysilane (PubChem CID 10884235) has the molecular formula C25H44OSi2 and a molecular weight of 416.80 g/mol. Its IUPAC name is triethyl-[2,4,4-trimethyl-3-[(1E,3E)-3-methyl-6-trimethylsilylhexa-1,3-dien-5-ynyl]cyclohex-2-en-1-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[2,4,4-trimethyl-3-[(1E,3E)-3-methyl-6-trimethylsilylhexa-1,3-dien-5-ynyl]cyclohex-2-en-1-yl]oxysilane
PubChem CID10884235
Molecular FormulaC25H44OSi2
Molecular Weight416.80 g/mol
Exact Mass416.29
IUPAC Nametriethyl-[2,4,4-trimethyl-3-[(1E,3E)-3-methyl-6-trimethylsilylhexa-1,3-dien-5-ynyl]cyclohex-2-en-1-yl]oxysilane
SMILESCC[Si](CC)(CC)OC1CCC(C)(C)C(/C=C/C(C)=C/C#C[Si](C)(C)C)=C1C
InChIInChI=1S/C25H44OSi2/c1-11-28(12-2,13-3)26-24-18-19-25(6,7)23(22(24)5)17-16-21(4)15-14-20-27(8,9)10/h15-17,24H,11-13,18-19H2,1-10H3/b17-16+,21-15+
InChIKeyLZLYSMDZCXZZNK-IUEIKPRBSA-N
XLogP7.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.80
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of triethyl-[2,4,4-trimethyl-3-[(1E,3E)-3-methyl-6-trimethylsilylhexa-1,3-dien-5-ynyl]cyclohex-2-en-1-yl]oxysilane?
The IUPAC name of triethyl-[2,4,4-trimethyl-3-[(1E,3E)-3-methyl-6-trimethylsilylhexa-1,3-dien-5-ynyl]cyclohex-2-en-1-yl]oxysilane (CID 10884235) is triethyl-[2,4,4-trimethyl-3-[(1E,3E)-3-methyl-6-trimethylsilylhexa-1,3-dien-5-ynyl]cyclohex-2-en-1-yl]oxysilane.
What is the SMILES notation for triethyl-[2,4,4-trimethyl-3-[(1E,3E)-3-methyl-6-trimethylsilylhexa-1,3-dien-5-ynyl]cyclohex-2-en-1-yl]oxysilane?
The canonical SMILES for triethyl-[2,4,4-trimethyl-3-[(1E,3E)-3-methyl-6-trimethylsilylhexa-1,3-dien-5-ynyl]cyclohex-2-en-1-yl]oxysilane is CC[Si](CC)(CC)OC1CCC(C)(C)C(/C=C/C(C)=C/C#C[Si](C)(C)C)=C1C.
What is the InChIKey of triethyl-[2,4,4-trimethyl-3-[(1E,3E)-3-methyl-6-trimethylsilylhexa-1,3-dien-5-ynyl]cyclohex-2-en-1-yl]oxysilane?
The InChIKey is LZLYSMDZCXZZNK-IUEIKPRBSA-N. The full InChI is InChI=1S/C25H44OSi2/c1-11-28(12-2,13-3)26-24-18-19-25(6,7)23(22(24)5)17-16-21(4)15-14-20-27(8,9)10/h15-17,24H,11-13,18-19H2,1-10H3/b17-16+,21-15+.
What are the key properties of triethyl-[2,4,4-trimethyl-3-[(1E,3E)-3-methyl-6-trimethylsilylhexa-1,3-dien-5-ynyl]cyclohex-2-en-1-yl]oxysilane?
triethyl-[2,4,4-trimethyl-3-[(1E,3E)-3-methyl-6-trimethylsilylhexa-1,3-dien-5-ynyl]cyclohex-2-en-1-yl]oxysilane has a molecular weight of 416.80 g/mol, XLogP of 7.90, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[2,4,4-trimethyl-3-[(1E,3E)-3-methyl-6-trimethylsilylhexa-1,3-dien-5-ynyl]cyclohex-2-en-1-yl]oxysilane is sourced from PubChem (CID 10884235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).