triethoxy-(4-methyl-4-propan-2-ylcyclohexen-1-yl)silane

C16H32O3Si — CID 67589322

IUPACtriethoxy-(4-methyl-4-propan-2-ylcyclohexen-1-yl)silane
SMILESCCO[Si](OCC)(OCC)C1=CCC(C)(C(C)C)CC1
InChIInChI=1S/C16H32O3Si/c1-7-17-20(18-8-2,19-9-3)15-10-12-16(6,13-11-15)14(4)5/h10,14H,7-9,11-13H2,1-6H3
InChIKeyXSCLPQWXGLLKSQ-UHFFFAOYSA-N
MW300.51 g/mol
LogP4.35
Rot. Bonds8

About triethoxy-(4-methyl-4-propan-2-ylcyclohexen-1-yl)silane

triethoxy-(4-methyl-4-propan-2-ylcyclohexen-1-yl)silane (PubChem CID 67589322) has the molecular formula C16H32O3Si and a molecular weight of 300.51 g/mol. Its IUPAC name is triethoxy-(4-methyl-4-propan-2-ylcyclohexen-1-yl)silane.

Molecular Properties

Compound Nametriethoxy-(4-methyl-4-propan-2-ylcyclohexen-1-yl)silane
PubChem CID67589322
Molecular FormulaC16H32O3Si
Molecular Weight300.51 g/mol
Exact Mass300.21
IUPAC Nametriethoxy-(4-methyl-4-propan-2-ylcyclohexen-1-yl)silane
SMILESCCO[Si](OCC)(OCC)C1=CCC(C)(C(C)C)CC1
InChIInChI=1S/C16H32O3Si/c1-7-17-20(18-8-2,19-9-3)15-10-12-16(6,13-11-15)14(4)5/h10,14H,7-9,11-13H2,1-6H3
InChIKeyXSCLPQWXGLLKSQ-UHFFFAOYSA-N
XLogP4.35
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
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 triethoxy-(4-methyl-4-propan-2-ylcyclohexen-1-yl)silane?
The IUPAC name of triethoxy-(4-methyl-4-propan-2-ylcyclohexen-1-yl)silane (CID 67589322) is triethoxy-(4-methyl-4-propan-2-ylcyclohexen-1-yl)silane.
What is the SMILES notation for triethoxy-(4-methyl-4-propan-2-ylcyclohexen-1-yl)silane?
The canonical SMILES for triethoxy-(4-methyl-4-propan-2-ylcyclohexen-1-yl)silane is CCO[Si](OCC)(OCC)C1=CCC(C)(C(C)C)CC1.
What is the InChIKey of triethoxy-(4-methyl-4-propan-2-ylcyclohexen-1-yl)silane?
The InChIKey is XSCLPQWXGLLKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-7-17-20(18-8-2,19-9-3)15-10-12-16(6,13-11-15)14(4)5/h10,14H,7-9,11-13H2,1-6H3.
What are the key properties of triethoxy-(4-methyl-4-propan-2-ylcyclohexen-1-yl)silane?
triethoxy-(4-methyl-4-propan-2-ylcyclohexen-1-yl)silane has a molecular weight of 300.51 g/mol, XLogP of 4.35, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-(4-methyl-4-propan-2-ylcyclohexen-1-yl)silane is sourced from PubChem (CID 67589322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).