trimethoxy-[4-[(4-methylcyclohexyl)methyl]phenyl]silane

C17H28O3Si — CID 90891136

IUPACtrimethoxy-[4-[(4-methylcyclohexyl)methyl]phenyl]silane
SMILESCO[Si](OC)(OC)c1ccc(CC2CCC(C)CC2)cc1
InChIInChI=1S/C17H28O3Si/c1-14-5-7-15(8-6-14)13-16-9-11-17(12-10-16)21(18-2,19-3)20-4/h9-12,14-15H,5-8,13H2,1-4H3
InChIKeyNQYLXJSWUPFCEJ-UHFFFAOYSA-N
MW308.49 g/mol
LogP3.14
Rot. Bonds6

About trimethoxy-[4-[(4-methylcyclohexyl)methyl]phenyl]silane

trimethoxy-[4-[(4-methylcyclohexyl)methyl]phenyl]silane (PubChem CID 90891136) has the molecular formula C17H28O3Si and a molecular weight of 308.49 g/mol. Its IUPAC name is trimethoxy-[4-[(4-methylcyclohexyl)methyl]phenyl]silane.

Molecular Properties

Compound Nametrimethoxy-[4-[(4-methylcyclohexyl)methyl]phenyl]silane
PubChem CID90891136
Molecular FormulaC17H28O3Si
Molecular Weight308.49 g/mol
Exact Mass308.18
IUPAC Nametrimethoxy-[4-[(4-methylcyclohexyl)methyl]phenyl]silane
SMILESCO[Si](OC)(OC)c1ccc(CC2CCC(C)CC2)cc1
InChIInChI=1S/C17H28O3Si/c1-14-5-7-15(8-6-14)13-16-9-11-17(12-10-16)21(18-2,19-3)20-4/h9-12,14-15H,5-8,13H2,1-4H3
InChIKeyNQYLXJSWUPFCEJ-UHFFFAOYSA-N
XLogP3.14
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 53.14
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 trimethoxy-[4-[(4-methylcyclohexyl)methyl]phenyl]silane?
The IUPAC name of trimethoxy-[4-[(4-methylcyclohexyl)methyl]phenyl]silane (CID 90891136) is trimethoxy-[4-[(4-methylcyclohexyl)methyl]phenyl]silane.
What is the SMILES notation for trimethoxy-[4-[(4-methylcyclohexyl)methyl]phenyl]silane?
The canonical SMILES for trimethoxy-[4-[(4-methylcyclohexyl)methyl]phenyl]silane is CO[Si](OC)(OC)c1ccc(CC2CCC(C)CC2)cc1.
What is the InChIKey of trimethoxy-[4-[(4-methylcyclohexyl)methyl]phenyl]silane?
The InChIKey is NQYLXJSWUPFCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O3Si/c1-14-5-7-15(8-6-14)13-16-9-11-17(12-10-16)21(18-2,19-3)20-4/h9-12,14-15H,5-8,13H2,1-4H3.
What are the key properties of trimethoxy-[4-[(4-methylcyclohexyl)methyl]phenyl]silane?
trimethoxy-[4-[(4-methylcyclohexyl)methyl]phenyl]silane has a molecular weight of 308.49 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[4-[(4-methylcyclohexyl)methyl]phenyl]silane is sourced from PubChem (CID 90891136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).