trimethylsilyl 6-methylheptanoate

C11H24O2Si — CID 169084629

IUPACtrimethylsilyl 6-methylheptanoate
SMILESCC(C)CCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C11H24O2Si/c1-10(2)8-6-7-9-11(12)13-14(3,4)5/h10H,6-9H2,1-5H3
InChIKeyNOUQAZKFUHWWNQ-UHFFFAOYSA-N
MW216.40 g/mol
LogP3.58
Rot. Bonds6

About trimethylsilyl 6-methylheptanoate

trimethylsilyl 6-methylheptanoate (PubChem CID 169084629) has the molecular formula C11H24O2Si and a molecular weight of 216.40 g/mol. Its IUPAC name is trimethylsilyl 6-methylheptanoate.

Molecular Properties

Compound Nametrimethylsilyl 6-methylheptanoate
PubChem CID169084629
Molecular FormulaC11H24O2Si
Molecular Weight216.40 g/mol
Exact Mass216.15
IUPAC Nametrimethylsilyl 6-methylheptanoate
SMILESCC(C)CCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C11H24O2Si/c1-10(2)8-6-7-9-11(12)13-14(3,4)5/h10H,6-9H2,1-5H3
InChIKeyNOUQAZKFUHWWNQ-UHFFFAOYSA-N
XLogP3.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.40
LogP ≤ 53.58
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'}

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Related Compounds

Trimethylsilyl octanoate
CID 521624
Trimethylsilyl decanoate
CID 521628
Undecanoic acid, trimethylsilyl ester
CID 523680
Trimethylsilyl heptanoate
CID 529222
2,6-Dimethylheptanoate
CID 53436705
tert-Butyl(dimethyl)silyl heptanoate
CID 528098
Trimethylsilyl cyclohexanecarboxylate
CID 522350
Trimethylsilyl nonanoate
CID 522774
12-Methyltridecanoate
CID 51387508
2-Ethylhexanoic acid, trimethylsilyl ester
CID 553386
Dipropylacetic acid, trimethylsilyl ester
CID 528656
2-Methylpentadecanoic acid trimethylsilylester
CID 91747655

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 6-methylheptanoate?
The IUPAC name of trimethylsilyl 6-methylheptanoate (CID 169084629) is trimethylsilyl 6-methylheptanoate.
What is the SMILES notation for trimethylsilyl 6-methylheptanoate?
The canonical SMILES for trimethylsilyl 6-methylheptanoate is CC(C)CCCCC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 6-methylheptanoate?
The InChIKey is NOUQAZKFUHWWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2Si/c1-10(2)8-6-7-9-11(12)13-14(3,4)5/h10H,6-9H2,1-5H3.
What are the key properties of trimethylsilyl 6-methylheptanoate?
trimethylsilyl 6-methylheptanoate has a molecular weight of 216.40 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 6-methylheptanoate is sourced from PubChem (CID 169084629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).