2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]acetonitrile

C15H29NOSi — CID 22236378

IUPAC2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]acetonitrile
SMILESCC(C)(C)[Si](C)(C)OCC1CCC(CC#N)CC1
InChIInChI=1S/C15H29NOSi/c1-15(2,3)18(4,5)17-12-14-8-6-13(7-9-14)10-11-16/h13-14H,6-10,12H2,1-5H3
InChIKeyCIECDVVEXQTHER-UHFFFAOYSA-N
MW267.49 g/mol
LogP4.73
Rot. Bonds4

About 2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]acetonitrile

2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]acetonitrile (PubChem CID 22236378) has the molecular formula C15H29NOSi and a molecular weight of 267.49 g/mol. Its IUPAC name is 2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]acetonitrile
PubChem CID22236378
Molecular FormulaC15H29NOSi
Molecular Weight267.49 g/mol
Exact Mass267.20
IUPAC Name2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]acetonitrile
SMILESCC(C)(C)[Si](C)(C)OCC1CCC(CC#N)CC1
InChIInChI=1S/C15H29NOSi/c1-15(2,3)18(4,5)17-12-14-8-6-13(7-9-14)10-11-16/h13-14H,6-10,12H2,1-5H3
InChIKeyCIECDVVEXQTHER-UHFFFAOYSA-N
XLogP4.73
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]acetonitrile?
The IUPAC name of 2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]acetonitrile (CID 22236378) is 2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]acetonitrile.
What is the SMILES notation for 2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]acetonitrile?
The canonical SMILES for 2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]acetonitrile is CC(C)(C)[Si](C)(C)OCC1CCC(CC#N)CC1.
What is the InChIKey of 2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]acetonitrile?
The InChIKey is CIECDVVEXQTHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NOSi/c1-15(2,3)18(4,5)17-12-14-8-6-13(7-9-14)10-11-16/h13-14H,6-10,12H2,1-5H3.
What are the key properties of 2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]acetonitrile?
2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]acetonitrile has a molecular weight of 267.49 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]acetonitrile is sourced from PubChem (CID 22236378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).