(4-tert-butylcyclohexen-1-yl)-triethoxysilane

C16H32O3Si — CID 10935490

IUPAC(4-tert-butylcyclohexen-1-yl)-triethoxysilane
SMILESCCO[Si](OCC)(OCC)C1=CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H32O3Si/c1-7-17-20(18-8-2,19-9-3)15-12-10-14(11-13-15)16(4,5)6/h12,14H,7-11,13H2,1-6H3
InChIKeyCYYNQKJHNVGHLA-UHFFFAOYSA-N
MW300.51 g/mol
LogP4.35
Rot. Bonds7

About (4-tert-butylcyclohexen-1-yl)-triethoxysilane

(4-tert-butylcyclohexen-1-yl)-triethoxysilane (PubChem CID 10935490) has the molecular formula C16H32O3Si and a molecular weight of 300.51 g/mol. Its IUPAC name is (4-tert-butylcyclohexen-1-yl)-triethoxysilane.

Molecular Properties

Compound Name(4-tert-butylcyclohexen-1-yl)-triethoxysilane
PubChem CID10935490
Molecular FormulaC16H32O3Si
Molecular Weight300.51 g/mol
Exact Mass300.21
IUPAC Name(4-tert-butylcyclohexen-1-yl)-triethoxysilane
SMILESCCO[Si](OCC)(OCC)C1=CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H32O3Si/c1-7-17-20(18-8-2,19-9-3)15-12-10-14(11-13-15)16(4,5)6/h12,14H,7-11,13H2,1-6H3
InChIKeyCYYNQKJHNVGHLA-UHFFFAOYSA-N
XLogP4.35
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.51
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (4-tert-butylcyclohexen-1-yl)-triethoxysilane?
The IUPAC name of (4-tert-butylcyclohexen-1-yl)-triethoxysilane (CID 10935490) is (4-tert-butylcyclohexen-1-yl)-triethoxysilane.
What is the SMILES notation for (4-tert-butylcyclohexen-1-yl)-triethoxysilane?
The canonical SMILES for (4-tert-butylcyclohexen-1-yl)-triethoxysilane is CCO[Si](OCC)(OCC)C1=CCC(C(C)(C)C)CC1.
What is the InChIKey of (4-tert-butylcyclohexen-1-yl)-triethoxysilane?
The InChIKey is CYYNQKJHNVGHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-7-17-20(18-8-2,19-9-3)15-12-10-14(11-13-15)16(4,5)6/h12,14H,7-11,13H2,1-6H3.
What are the key properties of (4-tert-butylcyclohexen-1-yl)-triethoxysilane?
(4-tert-butylcyclohexen-1-yl)-triethoxysilane has a molecular weight of 300.51 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylcyclohexen-1-yl)-triethoxysilane is sourced from PubChem (CID 10935490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).