tert-butyl-[2-(cycloheptylmethoxy)ethyl]-dimethylsilane

C16H34OSi — CID 70177540

IUPACtert-butyl-[2-(cycloheptylmethoxy)ethyl]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)CCOCC1CCCCCC1
InChIInChI=1S/C16H34OSi/c1-16(2,3)18(4,5)13-12-17-14-15-10-8-6-7-9-11-15/h15H,6-14H2,1-5H3
InChIKeyCAOONUDJAVQHFN-UHFFFAOYSA-N
MW270.53 g/mol
LogP5.48
Rot. Bonds5

About tert-butyl-[2-(cycloheptylmethoxy)ethyl]-dimethylsilane

tert-butyl-[2-(cycloheptylmethoxy)ethyl]-dimethylsilane (PubChem CID 70177540) has the molecular formula C16H34OSi and a molecular weight of 270.53 g/mol. Its IUPAC name is tert-butyl-[2-(cycloheptylmethoxy)ethyl]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-(cycloheptylmethoxy)ethyl]-dimethylsilane
PubChem CID70177540
Molecular FormulaC16H34OSi
Molecular Weight270.53 g/mol
Exact Mass270.24
IUPAC Nametert-butyl-[2-(cycloheptylmethoxy)ethyl]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)CCOCC1CCCCCC1
InChIInChI=1S/C16H34OSi/c1-16(2,3)18(4,5)13-12-17-14-15-10-8-6-7-9-11-15/h15H,6-14H2,1-5H3
InChIKeyCAOONUDJAVQHFN-UHFFFAOYSA-N
XLogP5.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.53
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-(cycloheptylmethoxy)ethyl]-dimethylsilane?
The IUPAC name of tert-butyl-[2-(cycloheptylmethoxy)ethyl]-dimethylsilane (CID 70177540) is tert-butyl-[2-(cycloheptylmethoxy)ethyl]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-(cycloheptylmethoxy)ethyl]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-(cycloheptylmethoxy)ethyl]-dimethylsilane is CC(C)(C)[Si](C)(C)CCOCC1CCCCCC1.
What is the InChIKey of tert-butyl-[2-(cycloheptylmethoxy)ethyl]-dimethylsilane?
The InChIKey is CAOONUDJAVQHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34OSi/c1-16(2,3)18(4,5)13-12-17-14-15-10-8-6-7-9-11-15/h15H,6-14H2,1-5H3.
What are the key properties of tert-butyl-[2-(cycloheptylmethoxy)ethyl]-dimethylsilane?
tert-butyl-[2-(cycloheptylmethoxy)ethyl]-dimethylsilane has a molecular weight of 270.53 g/mol, XLogP of 5.48, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-(cycloheptylmethoxy)ethyl]-dimethylsilane is sourced from PubChem (CID 70177540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).