4-tert-butyl-1-trimethylsilyloxycycloheptane-1-carbonitrile

C15H29NOSi — CID 65094927

IUPAC4-tert-butyl-1-trimethylsilyloxycycloheptane-1-carbonitrile
SMILESCC(C)(C)C1CCCC(C#N)(O[Si](C)(C)C)CC1
InChIInChI=1S/C15H29NOSi/c1-14(2,3)13-8-7-10-15(12-16,11-9-13)17-18(4,5)6/h13H,7-11H2,1-6H3
InChIKeyAOVBOQATFPDGJE-UHFFFAOYSA-N
MW267.49 g/mol
LogP4.73
Rot. Bonds2

About 4-tert-butyl-1-trimethylsilyloxycycloheptane-1-carbonitrile

4-tert-butyl-1-trimethylsilyloxycycloheptane-1-carbonitrile (PubChem CID 65094927) has the molecular formula C15H29NOSi and a molecular weight of 267.49 g/mol. Its IUPAC name is 4-tert-butyl-1-trimethylsilyloxycycloheptane-1-carbonitrile.

Molecular Properties

Compound Name4-tert-butyl-1-trimethylsilyloxycycloheptane-1-carbonitrile
PubChem CID65094927
Molecular FormulaC15H29NOSi
Molecular Weight267.49 g/mol
Exact Mass267.20
IUPAC Name4-tert-butyl-1-trimethylsilyloxycycloheptane-1-carbonitrile
SMILESCC(C)(C)C1CCCC(C#N)(O[Si](C)(C)C)CC1
InChIInChI=1S/C15H29NOSi/c1-14(2,3)13-8-7-10-15(12-16,11-9-13)17-18(4,5)6/h13H,7-11H2,1-6H3
InChIKeyAOVBOQATFPDGJE-UHFFFAOYSA-N
XLogP4.73
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.49
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-1-trimethylsilyloxycycloheptane-1-carbonitrile
CID 65085113
1-methoxy-4-trimethylsilyloxypiperidine-4-carbonitrile
CID 66794043
1-(4-tert-butyl-1-hydroxycycloheptyl)cycloheptane-1-carbonitrile
CID 79124063
1-methyl-3-trimethylsilyloxypyrrolidine-3-carbonitrile
CID 62976417
12-tert-butyldispiro[5.2.59.26]hexadecane
CID 140778143
1,1-dioxo-3-trimethylsilyloxythiolane-3-carbonitrile
CID 63165899
7-tert-butylspiro[3.5]nonane
CID 123908402
tert-butylcyclopentane;tert-butylcyclopropane
CID 160905619
tert-butylcyclopentadecane
CID 164774831
1,4-ditert-butylcycloheptane
CID 58579546
tert-butyl (3S)-3-cyano-3-trimethylsilyloxypyrrolidine-1-carboxylate
CID 124637594
tert-butyl (3R)-3-cyano-3-trimethylsilyloxypyrrolidine-1-carboxylate
CID 124637593

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-trimethylsilyloxycycloheptane-1-carbonitrile?
The IUPAC name of 4-tert-butyl-1-trimethylsilyloxycycloheptane-1-carbonitrile (CID 65094927) is 4-tert-butyl-1-trimethylsilyloxycycloheptane-1-carbonitrile.
What is the SMILES notation for 4-tert-butyl-1-trimethylsilyloxycycloheptane-1-carbonitrile?
The canonical SMILES for 4-tert-butyl-1-trimethylsilyloxycycloheptane-1-carbonitrile is CC(C)(C)C1CCCC(C#N)(O[Si](C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-1-trimethylsilyloxycycloheptane-1-carbonitrile?
The InChIKey is AOVBOQATFPDGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NOSi/c1-14(2,3)13-8-7-10-15(12-16,11-9-13)17-18(4,5)6/h13H,7-11H2,1-6H3.
What are the key properties of 4-tert-butyl-1-trimethylsilyloxycycloheptane-1-carbonitrile?
4-tert-butyl-1-trimethylsilyloxycycloheptane-1-carbonitrile has a molecular weight of 267.49 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-trimethylsilyloxycycloheptane-1-carbonitrile is sourced from PubChem (CID 65094927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).