silyl 2,2,3-trimethylhexanoate

C9H20O2Si — CID 123494675

IUPACsilyl 2,2,3-trimethylhexanoate
SMILESCCCC(C)C(C)(C)C(=O)O[SiH3]
InChIInChI=1S/C9H20O2Si/c1-5-6-7(2)9(3,4)8(10)11-12/h7H,5-6H2,1-4,12H3
InChIKeyDWNOBXZFFCKJED-UHFFFAOYSA-N
MW188.34 g/mol
LogP1.27
Rot. Bonds4

About silyl 2,2,3-trimethylhexanoate

silyl 2,2,3-trimethylhexanoate (PubChem CID 123494675) has the molecular formula C9H20O2Si and a molecular weight of 188.34 g/mol. Its IUPAC name is silyl 2,2,3-trimethylhexanoate.

Molecular Properties

Compound Namesilyl 2,2,3-trimethylhexanoate
PubChem CID123494675
Molecular FormulaC9H20O2Si
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Namesilyl 2,2,3-trimethylhexanoate
SMILESCCCC(C)C(C)(C)C(=O)O[SiH3]
InChIInChI=1S/C9H20O2Si/c1-5-6-7(2)9(3,4)8(10)11-12/h7H,5-6H2,1-4,12H3
InChIKeyDWNOBXZFFCKJED-UHFFFAOYSA-N
XLogP1.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 51.27
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

16-methylheptadecyl 2,2,3-trimethylhexanoate
CID 19704601
2-tert-butylperoxy-2-methylpropane;2,2,3-trimethylhexanoic acid
CID 146295425
methyl 2,2,3-trimethylheptanoate
CID 87200659
N,N,2,2,3-pentamethylhexanamide
CID 20824927
methyl 2,2,3-trimethylhexadecanoate
CID 87793421
silyl 2,2,3-triethylhexanoate
CID 173470037
4,5,5-trimethylundecan-6-one
CID 173241130
2-ethoxycarbonyl-2,3-dimethylhexanoic acid
CID 107889825
ethyl (3S)-2-ethoxy-2,3-dimethylhexanoate
CID 118201125
[(2S)-pentan-2-yl] 2,2,3-trimethylbutanoate
CID 156672782
azane;2-hydroxypropyl 2,2,3-trimethyloctanoate
CID 175168571
sodium 2-(2,2,3-trimethylhexanoyloxy)benzenesulfonate
CID 23706247

Frequently Asked Questions

What is the IUPAC name of silyl 2,2,3-trimethylhexanoate?
The IUPAC name of silyl 2,2,3-trimethylhexanoate (CID 123494675) is silyl 2,2,3-trimethylhexanoate.
What is the SMILES notation for silyl 2,2,3-trimethylhexanoate?
The canonical SMILES for silyl 2,2,3-trimethylhexanoate is CCCC(C)C(C)(C)C(=O)O[SiH3].
What is the InChIKey of silyl 2,2,3-trimethylhexanoate?
The InChIKey is DWNOBXZFFCKJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2Si/c1-5-6-7(2)9(3,4)8(10)11-12/h7H,5-6H2,1-4,12H3.
What are the key properties of silyl 2,2,3-trimethylhexanoate?
silyl 2,2,3-trimethylhexanoate has a molecular weight of 188.34 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for silyl 2,2,3-trimethylhexanoate is sourced from PubChem (CID 123494675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).