triethyl-[(Z)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]oxysilane

C19H36OSi — CID 10662616

IUPACtriethyl-[(Z)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]oxysilane
SMILESCC[Si](CC)(CC)OC(C)/C=C\C1=C(C)CCCC1(C)C
InChIInChI=1S/C19H36OSi/c1-8-21(9-2,10-3)20-17(5)13-14-18-16(4)12-11-15-19(18,6)7/h13-14,17H,8-12,15H2,1-7H3/b14-13-
InChIKeyJZHIBYBIDFZMGN-YPKPFQOOSA-N
MW308.58 g/mol
LogP6.48
Rot. Bonds7

About triethyl-[(Z)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]oxysilane

triethyl-[(Z)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]oxysilane (PubChem CID 10662616) has the molecular formula C19H36OSi and a molecular weight of 308.58 g/mol. Its IUPAC name is triethyl-[(Z)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[(Z)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]oxysilane
PubChem CID10662616
Molecular FormulaC19H36OSi
Molecular Weight308.58 g/mol
Exact Mass308.25
IUPAC Nametriethyl-[(Z)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]oxysilane
SMILESCC[Si](CC)(CC)OC(C)/C=C\C1=C(C)CCCC1(C)C
InChIInChI=1S/C19H36OSi/c1-8-21(9-2,10-3)20-17(5)13-14-18-16(4)12-11-15-19(18,6)7/h13-14,17H,8-12,15H2,1-7H3/b14-13-
InChIKeyJZHIBYBIDFZMGN-YPKPFQOOSA-N
XLogP6.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.58
LogP ≤ 56.48
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-[(Z)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]oxysilane?
The IUPAC name of triethyl-[(Z)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]oxysilane (CID 10662616) is triethyl-[(Z)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]oxysilane.
What is the SMILES notation for triethyl-[(Z)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]oxysilane?
The canonical SMILES for triethyl-[(Z)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]oxysilane is CC[Si](CC)(CC)OC(C)/C=C\C1=C(C)CCCC1(C)C.
What is the InChIKey of triethyl-[(Z)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]oxysilane?
The InChIKey is JZHIBYBIDFZMGN-YPKPFQOOSA-N. The full InChI is InChI=1S/C19H36OSi/c1-8-21(9-2,10-3)20-17(5)13-14-18-16(4)12-11-15-19(18,6)7/h13-14,17H,8-12,15H2,1-7H3/b14-13-.
What are the key properties of triethyl-[(Z)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]oxysilane?
triethyl-[(Z)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]oxysilane has a molecular weight of 308.58 g/mol, XLogP of 6.48, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(Z)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]oxysilane is sourced from PubChem (CID 10662616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).