4-methyl-1-trimethylsilyloxycycloheptane-1-carbonitrile

C12H23NOSi — CID 65085113

IUPAC4-methyl-1-trimethylsilyloxycycloheptane-1-carbonitrile
SMILESCC1CCCC(C#N)(O[Si](C)(C)C)CC1
InChIInChI=1S/C12H23NOSi/c1-11-6-5-8-12(10-13,9-7-11)14-15(2,3)4/h11H,5-9H2,1-4H3
InChIKeyZLSWGZQIRDEDDW-UHFFFAOYSA-N
MW225.41 g/mol
LogP3.70
Rot. Bonds2

About 4-methyl-1-trimethylsilyloxycycloheptane-1-carbonitrile

4-methyl-1-trimethylsilyloxycycloheptane-1-carbonitrile (PubChem CID 65085113) has the molecular formula C12H23NOSi and a molecular weight of 225.41 g/mol. Its IUPAC name is 4-methyl-1-trimethylsilyloxycycloheptane-1-carbonitrile.

Molecular Properties

Compound Name4-methyl-1-trimethylsilyloxycycloheptane-1-carbonitrile
PubChem CID65085113
Molecular FormulaC12H23NOSi
Molecular Weight225.41 g/mol
Exact Mass225.15
IUPAC Name4-methyl-1-trimethylsilyloxycycloheptane-1-carbonitrile
SMILESCC1CCCC(C#N)(O[Si](C)(C)C)CC1
InChIInChI=1S/C12H23NOSi/c1-11-6-5-8-12(10-13,9-7-11)14-15(2,3)4/h11H,5-9H2,1-4H3
InChIKeyZLSWGZQIRDEDDW-UHFFFAOYSA-N
XLogP3.70
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.41
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methyl-1-trimethylsilyloxycycloheptane-1-carbonitrile?
The IUPAC name of 4-methyl-1-trimethylsilyloxycycloheptane-1-carbonitrile (CID 65085113) is 4-methyl-1-trimethylsilyloxycycloheptane-1-carbonitrile.
What is the SMILES notation for 4-methyl-1-trimethylsilyloxycycloheptane-1-carbonitrile?
The canonical SMILES for 4-methyl-1-trimethylsilyloxycycloheptane-1-carbonitrile is CC1CCCC(C#N)(O[Si](C)(C)C)CC1.
What is the InChIKey of 4-methyl-1-trimethylsilyloxycycloheptane-1-carbonitrile?
The InChIKey is ZLSWGZQIRDEDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NOSi/c1-11-6-5-8-12(10-13,9-7-11)14-15(2,3)4/h11H,5-9H2,1-4H3.
What are the key properties of 4-methyl-1-trimethylsilyloxycycloheptane-1-carbonitrile?
4-methyl-1-trimethylsilyloxycycloheptane-1-carbonitrile has a molecular weight of 225.41 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-trimethylsilyloxycycloheptane-1-carbonitrile is sourced from PubChem (CID 65085113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).