triethyl-[(E)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-yl]oxysilane

C21H40OSi — CID 102002933

IUPACtriethyl-[(E)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-yl]oxysilane
SMILESCCC(C)(/C=C/C1=C(C)CCCC1(C)C)O[Si](CC)(CC)CC
InChIInChI=1S/C21H40OSi/c1-9-21(8,22-23(10-2,11-3)12-4)17-15-19-18(5)14-13-16-20(19,6)7/h15,17H,9-14,16H2,1-8H3/b17-15+
InChIKeyZKLCVVMRXYPEAL-BMRADRMJSA-N
MW336.64 g/mol
LogP7.26
Rot. Bonds8

About triethyl-[(E)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-yl]oxysilane

triethyl-[(E)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-yl]oxysilane (PubChem CID 102002933) has the molecular formula C21H40OSi and a molecular weight of 336.64 g/mol. Its IUPAC name is triethyl-[(E)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[(E)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-yl]oxysilane
PubChem CID102002933
Molecular FormulaC21H40OSi
Molecular Weight336.64 g/mol
Exact Mass336.28
IUPAC Nametriethyl-[(E)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-yl]oxysilane
SMILESCCC(C)(/C=C/C1=C(C)CCCC1(C)C)O[Si](CC)(CC)CC
InChIInChI=1S/C21H40OSi/c1-9-21(8,22-23(10-2,11-3)12-4)17-15-19-18(5)14-13-16-20(19,6)7/h15,17H,9-14,16H2,1-8H3/b17-15+
InChIKeyZKLCVVMRXYPEAL-BMRADRMJSA-N
XLogP7.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.64
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triethyl-[(E)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-yl]oxysilane?
The IUPAC name of triethyl-[(E)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-yl]oxysilane (CID 102002933) is triethyl-[(E)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-yl]oxysilane.
What is the SMILES notation for triethyl-[(E)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-yl]oxysilane?
The canonical SMILES for triethyl-[(E)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-yl]oxysilane is CCC(C)(/C=C/C1=C(C)CCCC1(C)C)O[Si](CC)(CC)CC.
What is the InChIKey of triethyl-[(E)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-yl]oxysilane?
The InChIKey is ZKLCVVMRXYPEAL-BMRADRMJSA-N. The full InChI is InChI=1S/C21H40OSi/c1-9-21(8,22-23(10-2,11-3)12-4)17-15-19-18(5)14-13-16-20(19,6)7/h15,17H,9-14,16H2,1-8H3/b17-15+.
What are the key properties of triethyl-[(E)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-yl]oxysilane?
triethyl-[(E)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-yl]oxysilane has a molecular weight of 336.64 g/mol, XLogP of 7.26, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(E)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-yl]oxysilane is sourced from PubChem (CID 102002933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).