(7-cyano-7-trimethylsilylheptyl) 2,2-dimethylpropanoate

C16H31NO2Si — CID 10913523

IUPAC(7-cyano-7-trimethylsilylheptyl) 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCCCCCCC(C#N)[Si](C)(C)C
InChIInChI=1S/C16H31NO2Si/c1-16(2,3)15(18)19-12-10-8-7-9-11-14(13-17)20(4,5)6/h14H,7-12H2,1-6H3
InChIKeyUEKQPMQHYHYCIK-UHFFFAOYSA-N
MW297.51 g/mol
LogP4.76
Rot. Bonds8

About (7-cyano-7-trimethylsilylheptyl) 2,2-dimethylpropanoate

(7-cyano-7-trimethylsilylheptyl) 2,2-dimethylpropanoate (PubChem CID 10913523) has the molecular formula C16H31NO2Si and a molecular weight of 297.51 g/mol. Its IUPAC name is (7-cyano-7-trimethylsilylheptyl) 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(7-cyano-7-trimethylsilylheptyl) 2,2-dimethylpropanoate
PubChem CID10913523
Molecular FormulaC16H31NO2Si
Molecular Weight297.51 g/mol
Exact Mass297.21
IUPAC Name(7-cyano-7-trimethylsilylheptyl) 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCCCCCCC(C#N)[Si](C)(C)C
InChIInChI=1S/C16H31NO2Si/c1-16(2,3)15(18)19-12-10-8-7-9-11-14(13-17)20(4,5)6/h14H,7-12H2,1-6H3
InChIKeyUEKQPMQHYHYCIK-UHFFFAOYSA-N
XLogP4.76
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.51
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methylhexyl 2,2-dimethylpropanoate
CID 88620729
5-methylheptyl 2,2-dimethylpropanoate
CID 174762068
11-[chloro(dimethyl)silyl]undecyl 2,2-dimethylpropanoate
CID 101408302
heptadecyl 2,2-dimethylpropanoate
CID 568514
undecyl 2,2-dimethylpropanoate;hydrochloride
CID 174740380
[(5R)-5-hydroxyhept-6-enyl] 2,2-dimethylpropanoate
CID 102031131
[5-(2,2-dimethylpropanoyloxy)-4-methylpentyl] 2,2-dimethylpropanoate
CID 151303076
zinc bis(pentyl 2,2-dimethylpropanoate)
CID 10971564
methyl 2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-10-(2,2-dimethylpropanoyloxy)decyl]hexacosanoate
CID 90114889
4-(2,2-dimethylpropanoyloxy)butyl-tris(4-methylphenyl)phosphanium chloride
CID 174154896
didecyl 3,12-didecyl-2,2,13,13-tetramethyltetradecanedioate
CID 140868250
5-methylhexyl 2-methyl-2,3-bis(sulfanyl)propanoate
CID 175047806

Frequently Asked Questions

What is the IUPAC name of (7-cyano-7-trimethylsilylheptyl) 2,2-dimethylpropanoate?
The IUPAC name of (7-cyano-7-trimethylsilylheptyl) 2,2-dimethylpropanoate (CID 10913523) is (7-cyano-7-trimethylsilylheptyl) 2,2-dimethylpropanoate.
What is the SMILES notation for (7-cyano-7-trimethylsilylheptyl) 2,2-dimethylpropanoate?
The canonical SMILES for (7-cyano-7-trimethylsilylheptyl) 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCCCCCCC(C#N)[Si](C)(C)C.
What is the InChIKey of (7-cyano-7-trimethylsilylheptyl) 2,2-dimethylpropanoate?
The InChIKey is UEKQPMQHYHYCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2Si/c1-16(2,3)15(18)19-12-10-8-7-9-11-14(13-17)20(4,5)6/h14H,7-12H2,1-6H3.
What are the key properties of (7-cyano-7-trimethylsilylheptyl) 2,2-dimethylpropanoate?
(7-cyano-7-trimethylsilylheptyl) 2,2-dimethylpropanoate has a molecular weight of 297.51 g/mol, XLogP of 4.76, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-cyano-7-trimethylsilylheptyl) 2,2-dimethylpropanoate is sourced from PubChem (CID 10913523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).