2-[tert-butyl(dimethyl)silyl]oxytetradeca-6,12-diynenitrile

C20H33NOSi — CID 135071982

IUPAC2-[tert-butyl(dimethyl)silyl]oxytetradeca-6,12-diynenitrile
SMILESCC#CCCCCC#CCCCC(C#N)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H33NOSi/c1-7-8-9-10-11-12-13-14-15-16-17-19(18-21)22-23(5,6)20(2,3)4/h19H,9-12,15-17H2,1-6H3
InChIKeyRAIRBDRMCJRMFW-UHFFFAOYSA-N
MW331.58 g/mol
LogP5.66
Rot. Bonds8

About 2-[tert-butyl(dimethyl)silyl]oxytetradeca-6,12-diynenitrile

2-[tert-butyl(dimethyl)silyl]oxytetradeca-6,12-diynenitrile (PubChem CID 135071982) has the molecular formula C20H33NOSi and a molecular weight of 331.58 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxytetradeca-6,12-diynenitrile.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxytetradeca-6,12-diynenitrile
PubChem CID135071982
Molecular FormulaC20H33NOSi
Molecular Weight331.58 g/mol
Exact Mass331.23
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxytetradeca-6,12-diynenitrile
SMILESCC#CCCCCC#CCCCC(C#N)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H33NOSi/c1-7-8-9-10-11-12-13-14-15-16-17-19(18-21)22-23(5,6)20(2,3)4/h19H,9-12,15-17H2,1-6H3
InChIKeyRAIRBDRMCJRMFW-UHFFFAOYSA-N
XLogP5.66
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.58
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(11R)-henicosa-6,9-diyn-11-yl]oxy-dimethylsilane
CID 71377830
tert-butyl-[(4S)-dec-5-yn-4-yl]oxy-dimethylsilane
CID 154722512
[(5R)-20-bromoicosa-6,15-diyn-5-yl]oxy-tert-butyl-dimethylsilane
CID 87979821
(2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enenitrile
CID 11687136
[(5R)-19-bromononadec-6-yn-5-yl]oxy-tert-butyl-dimethylsilane
CID 87948326
2-[tert-butyl(dimethyl)silyl]oxy-3-dodecoxypropanenitrile
CID 152762097
tert-butyl-[(10S)-henicos-7-yn-10-yl]oxy-dimethylsilane
CID 156597203
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-cyano-2-propan-2-ylbutanoic acid
CID 87076440
7-bromo-8,8-dimethylnon-2-yne
CID 64506983
2-[tert-butyl(dimethyl)silyl]oxy-4-[(2S,3S)-3-[2-[(2R,3R)-3-[2-[(2R,3R)-3-[2-[(2S,3S)-3-[3-[tert-butyl(dimethyl)silyl]oxy-3-cyanopropyl]-3-methyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]butanenitrile
CID 71725635
[(5R)-14-(3-bromopropylsulfanyl)tetradec-6-yn-5-yl]oxy-tert-butyl-dimethylsilane
CID 87948201
tert-butyl-[(3S)-6-chlorohex-1-yn-3-yl]oxy-dimethylsilane
CID 71503804

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxytetradeca-6,12-diynenitrile?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxytetradeca-6,12-diynenitrile (CID 135071982) is 2-[tert-butyl(dimethyl)silyl]oxytetradeca-6,12-diynenitrile.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxytetradeca-6,12-diynenitrile?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxytetradeca-6,12-diynenitrile is CC#CCCCCC#CCCCC(C#N)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxytetradeca-6,12-diynenitrile?
The InChIKey is RAIRBDRMCJRMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NOSi/c1-7-8-9-10-11-12-13-14-15-16-17-19(18-21)22-23(5,6)20(2,3)4/h19H,9-12,15-17H2,1-6H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxytetradeca-6,12-diynenitrile?
2-[tert-butyl(dimethyl)silyl]oxytetradeca-6,12-diynenitrile has a molecular weight of 331.58 g/mol, XLogP of 5.66, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxytetradeca-6,12-diynenitrile is sourced from PubChem (CID 135071982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).