[3,3-dimethyl-2,4,6-tris(3-methylbut-2-enyl)cyclohexen-1-yl]oxy-trimethylsilane

C26H46OSi — CID 15984506

IUPAC[3,3-dimethyl-2,4,6-tris(3-methylbut-2-enyl)cyclohexen-1-yl]oxy-trimethylsilane
SMILESCC(C)=CCC1=C(O[Si](C)(C)C)C(CC=C(C)C)CC(CC=C(C)C)C1(C)C
InChIInChI=1S/C26H46OSi/c1-19(2)12-15-22-18-23(16-13-20(3)4)26(7,8)24(17-14-21(5)6)25(22)27-28(9,10)11/h12-14,22-23H,15-18H2,1-11H3
InChIKeyIHZFSDXSEMSNEG-UHFFFAOYSA-N
MW402.74 g/mol
LogP8.82
Rot. Bonds8

About [3,3-dimethyl-2,4,6-tris(3-methylbut-2-enyl)cyclohexen-1-yl]oxy-trimethylsilane

[3,3-dimethyl-2,4,6-tris(3-methylbut-2-enyl)cyclohexen-1-yl]oxy-trimethylsilane (PubChem CID 15984506) has the molecular formula C26H46OSi and a molecular weight of 402.74 g/mol. Its IUPAC name is [3,3-dimethyl-2,4,6-tris(3-methylbut-2-enyl)cyclohexen-1-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[3,3-dimethyl-2,4,6-tris(3-methylbut-2-enyl)cyclohexen-1-yl]oxy-trimethylsilane
PubChem CID15984506
Molecular FormulaC26H46OSi
Molecular Weight402.74 g/mol
Exact Mass402.33
IUPAC Name[3,3-dimethyl-2,4,6-tris(3-methylbut-2-enyl)cyclohexen-1-yl]oxy-trimethylsilane
SMILESCC(C)=CCC1=C(O[Si](C)(C)C)C(CC=C(C)C)CC(CC=C(C)C)C1(C)C
InChIInChI=1S/C26H46OSi/c1-19(2)12-15-22-18-23(16-13-20(3)4)26(7,8)24(17-14-21(5)6)25(22)27-28(9,10)11/h12-14,22-23H,15-18H2,1-11H3
InChIKeyIHZFSDXSEMSNEG-UHFFFAOYSA-N
XLogP8.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.74
LogP ≤ 58.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3,3-dimethyl-2,4,6-tris(3-methylbut-2-enyl)cyclohexen-1-yl]oxy-trimethylsilane?
The IUPAC name of [3,3-dimethyl-2,4,6-tris(3-methylbut-2-enyl)cyclohexen-1-yl]oxy-trimethylsilane (CID 15984506) is [3,3-dimethyl-2,4,6-tris(3-methylbut-2-enyl)cyclohexen-1-yl]oxy-trimethylsilane.
What is the SMILES notation for [3,3-dimethyl-2,4,6-tris(3-methylbut-2-enyl)cyclohexen-1-yl]oxy-trimethylsilane?
The canonical SMILES for [3,3-dimethyl-2,4,6-tris(3-methylbut-2-enyl)cyclohexen-1-yl]oxy-trimethylsilane is CC(C)=CCC1=C(O[Si](C)(C)C)C(CC=C(C)C)CC(CC=C(C)C)C1(C)C.
What is the InChIKey of [3,3-dimethyl-2,4,6-tris(3-methylbut-2-enyl)cyclohexen-1-yl]oxy-trimethylsilane?
The InChIKey is IHZFSDXSEMSNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46OSi/c1-19(2)12-15-22-18-23(16-13-20(3)4)26(7,8)24(17-14-21(5)6)25(22)27-28(9,10)11/h12-14,22-23H,15-18H2,1-11H3.
What are the key properties of [3,3-dimethyl-2,4,6-tris(3-methylbut-2-enyl)cyclohexen-1-yl]oxy-trimethylsilane?
[3,3-dimethyl-2,4,6-tris(3-methylbut-2-enyl)cyclohexen-1-yl]oxy-trimethylsilane has a molecular weight of 402.74 g/mol, XLogP of 8.82, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-dimethyl-2,4,6-tris(3-methylbut-2-enyl)cyclohexen-1-yl]oxy-trimethylsilane is sourced from PubChem (CID 15984506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).