silyl 2,2,3-triethylhexanoate

C12H26O2Si — CID 173470037

IUPACsilyl 2,2,3-triethylhexanoate
SMILESCCCC(CC)C(CC)(CC)C(=O)O[SiH3]
InChIInChI=1S/C12H26O2Si/c1-5-9-10(6-2)12(7-3,8-4)11(13)14-15/h10H,5-9H2,1-4,15H3
InChIKeyNNLDPJIWWXVEKL-UHFFFAOYSA-N
MW230.42 g/mol
LogP2.44
Rot. Bonds7

About silyl 2,2,3-triethylhexanoate

silyl 2,2,3-triethylhexanoate (PubChem CID 173470037) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is silyl 2,2,3-triethylhexanoate.

Molecular Properties

Compound Namesilyl 2,2,3-triethylhexanoate
PubChem CID173470037
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Namesilyl 2,2,3-triethylhexanoate
SMILESCCCC(CC)C(CC)(CC)C(=O)O[SiH3]
InChIInChI=1S/C12H26O2Si/c1-5-9-10(6-2)12(7-3,8-4)11(13)14-15/h10H,5-9H2,1-4,15H3
InChIKeyNNLDPJIWWXVEKL-UHFFFAOYSA-N
XLogP2.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 52.44
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

silyl 2,2-diheptyl-3-propyldecanoate
CID 123286365
silyl 2,2,3-trimethylhexanoate
CID 123494675
3,3-diethyloctane;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2,2,3-triethylhexanoic acid
CID 170309971
2,2-di(heptan-4-yl)propanedioic acid
CID 91100527
5-O-ethyl 1-O-methyl 2,2,3-triethylpentanedioate
CID 102123009
silyl 2-propylpentanoate
CID 123713518
3-ethyl-2,2-difluorohexanoic acid
CID 53443924
silyl 2-ethyl-2-propylpentanoate
CID 173274588
4-ethylheptane-3,3-diamine
CID 87457758
cyclohexyl 3-ethyl-2-propyl-2-silylhexanoate
CID 173470055
silyl 2,2-ditert-butyl-3-ethyl-4,4-dimethylpentanoate
CID 173469925
3,4-diethylheptan-3-ylphosphane;hydrobromide
CID 173000977

Frequently Asked Questions

What is the IUPAC name of silyl 2,2,3-triethylhexanoate?
The IUPAC name of silyl 2,2,3-triethylhexanoate (CID 173470037) is silyl 2,2,3-triethylhexanoate.
What is the SMILES notation for silyl 2,2,3-triethylhexanoate?
The canonical SMILES for silyl 2,2,3-triethylhexanoate is CCCC(CC)C(CC)(CC)C(=O)O[SiH3].
What is the InChIKey of silyl 2,2,3-triethylhexanoate?
The InChIKey is NNLDPJIWWXVEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-5-9-10(6-2)12(7-3,8-4)11(13)14-15/h10H,5-9H2,1-4,15H3.
What are the key properties of silyl 2,2,3-triethylhexanoate?
silyl 2,2,3-triethylhexanoate has a molecular weight of 230.42 g/mol, XLogP of 2.44, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for silyl 2,2,3-triethylhexanoate is sourced from PubChem (CID 173470037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).