3-[tert-butyl(dimethyl)silyl]oxy-4-chlorobutanenitrile

C10H20ClNOSi — CID 5097328

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-4-chlorobutanenitrile
SMILESCC(C)(C)[Si](C)(C)OC(CCl)CC#N
InChIInChI=1S/C10H20ClNOSi/c1-10(2,3)14(4,5)13-9(8-11)6-7-12/h9H,6,8H2,1-5H3
InChIKeyCLSDDCUBUAXIFQ-UHFFFAOYSA-N
MW233.81 g/mol
LogP3.53
Rot. Bonds4

About 3-[tert-butyl(dimethyl)silyl]oxy-4-chlorobutanenitrile

3-[tert-butyl(dimethyl)silyl]oxy-4-chlorobutanenitrile (PubChem CID 5097328) has the molecular formula C10H20ClNOSi and a molecular weight of 233.81 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-4-chlorobutanenitrile.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-4-chlorobutanenitrile
PubChem CID5097328
Molecular FormulaC10H20ClNOSi
Molecular Weight233.81 g/mol
Exact Mass233.10
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-4-chlorobutanenitrile
SMILESCC(C)(C)[Si](C)(C)OC(CCl)CC#N
InChIInChI=1S/C10H20ClNOSi/c1-10(2,3)14(4,5)13-9(8-11)6-7-12/h9H,6,8H2,1-5H3
InChIKeyCLSDDCUBUAXIFQ-UHFFFAOYSA-N
XLogP3.53
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.81
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynenitrile
CID 11087733
tert-butyl-(1-chloro-3-propan-2-yloxypropan-2-yl)oxy-dimethylsilane
CID 123652113
tert-butyl-dimethyl-oct-5-yn-3-yloxysilane
CID 88749377
(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-tri(propan-2-yl)silyloxyhept-6-enenitrile
CID 11026012
(3R,4R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhexanenitrile
CID 101210753
tert-butyl-dimethyl-pentan-3-yloxysilane;molecular hydrogen
CID 175100098
5-[tert-butyl(dimethyl)silyl]oxyhept-2-enenitrile
CID 123172359
(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanenitrile
CID 11009699
(3R)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-ynal
CID 11218406
tert-butyl-dimethyl-[(4S)-oct-1-yn-4-yl]oxysilane
CID 129405343
[3-[tert-butyl(dimethyl)silyl]oxy-1-cyanobutan-2-yl] N-(2,2-difluoroethyl)carbamate
CID 176610763
(2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enenitrile
CID 11687136

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-4-chlorobutanenitrile?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-4-chlorobutanenitrile (CID 5097328) is 3-[tert-butyl(dimethyl)silyl]oxy-4-chlorobutanenitrile.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-4-chlorobutanenitrile?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-4-chlorobutanenitrile is CC(C)(C)[Si](C)(C)OC(CCl)CC#N.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-4-chlorobutanenitrile?
The InChIKey is CLSDDCUBUAXIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNOSi/c1-10(2,3)14(4,5)13-9(8-11)6-7-12/h9H,6,8H2,1-5H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-4-chlorobutanenitrile?
3-[tert-butyl(dimethyl)silyl]oxy-4-chlorobutanenitrile has a molecular weight of 233.81 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-4-chlorobutanenitrile is sourced from PubChem (CID 5097328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).