tert-butyl-dimethyl-(4-methyl-1-propylcyclohexyl)oxysilane

C16H34OSi — CID 70179351

IUPACtert-butyl-dimethyl-(4-methyl-1-propylcyclohexyl)oxysilane
SMILESCCCC1(O[Si](C)(C)C(C)(C)C)CCC(C)CC1
InChIInChI=1S/C16H34OSi/c1-8-11-16(12-9-14(2)10-13-16)17-18(6,7)15(3,4)5/h14H,8-13H2,1-7H3
InChIKeyMRRZXDDEQYGDNK-UHFFFAOYSA-N
MW270.53 g/mol
LogP5.76
Rot. Bonds4

About tert-butyl-dimethyl-(4-methyl-1-propylcyclohexyl)oxysilane

tert-butyl-dimethyl-(4-methyl-1-propylcyclohexyl)oxysilane (PubChem CID 70179351) has the molecular formula C16H34OSi and a molecular weight of 270.53 g/mol. Its IUPAC name is tert-butyl-dimethyl-(4-methyl-1-propylcyclohexyl)oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(4-methyl-1-propylcyclohexyl)oxysilane
PubChem CID70179351
Molecular FormulaC16H34OSi
Molecular Weight270.53 g/mol
Exact Mass270.24
IUPAC Nametert-butyl-dimethyl-(4-methyl-1-propylcyclohexyl)oxysilane
SMILESCCCC1(O[Si](C)(C)C(C)(C)C)CCC(C)CC1
InChIInChI=1S/C16H34OSi/c1-8-11-16(12-9-14(2)10-13-16)17-18(6,7)15(3,4)5/h14H,8-13H2,1-7H3
InChIKeyMRRZXDDEQYGDNK-UHFFFAOYSA-N
XLogP5.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.53
LogP ≤ 55.76
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 tert-butyl-dimethyl-(4-methyl-1-propylcyclohexyl)oxysilane?
The IUPAC name of tert-butyl-dimethyl-(4-methyl-1-propylcyclohexyl)oxysilane (CID 70179351) is tert-butyl-dimethyl-(4-methyl-1-propylcyclohexyl)oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-(4-methyl-1-propylcyclohexyl)oxysilane?
The canonical SMILES for tert-butyl-dimethyl-(4-methyl-1-propylcyclohexyl)oxysilane is CCCC1(O[Si](C)(C)C(C)(C)C)CCC(C)CC1.
What is the InChIKey of tert-butyl-dimethyl-(4-methyl-1-propylcyclohexyl)oxysilane?
The InChIKey is MRRZXDDEQYGDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34OSi/c1-8-11-16(12-9-14(2)10-13-16)17-18(6,7)15(3,4)5/h14H,8-13H2,1-7H3.
What are the key properties of tert-butyl-dimethyl-(4-methyl-1-propylcyclohexyl)oxysilane?
tert-butyl-dimethyl-(4-methyl-1-propylcyclohexyl)oxysilane has a molecular weight of 270.53 g/mol, XLogP of 5.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(4-methyl-1-propylcyclohexyl)oxysilane is sourced from PubChem (CID 70179351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).