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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Related Compounds

4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexan-1-amine
CID 170953372
4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexan-1-one
CID 59734106
tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]methoxy]-diphenylsilane
CID 102242282
2-[(3aR,4R,6S,6aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-6-yl]acetonitrile
CID 15511184
tert-butyl-(cyclohex-3-en-1-ylmethoxy)-dimethylsilane
CID 11229886
tert-butyl-dimethyl-[[(3S)-piperidin-3-yl]methoxy]silane
CID 150934264
tert-butyl N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-cyanocyclohexyl]carbamate
CID 90773951
1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]-2-dimethoxyphosphorylethanone
CID 131746645
tert-butyl-[(4-ethenyl-4-methoxycyclohexyl)methoxy]-dimethylsilane
CID 123320294
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N'-(2,2-dihydroxyethoxy)cyclohexane-1-carboximidamide
CID 173031086
(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 59641056
4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-2-one
CID 85377811

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).