2-[2-[methyl(trimethylsilyloxy)silyl]ethyl]hept-2-enoic acid

C13H28O3Si2 — CID 173349939

IUPAC2-[2-[methyl(trimethylsilyloxy)silyl]ethyl]hept-2-enoic acid
SMILESCCCCC=C(CC[SiH](C)O[Si](C)(C)C)C(=O)O
InChIInChI=1S/C13H28O3Si2/c1-6-7-8-9-12(13(14)15)10-11-17(2)16-18(3,4)5/h9,17H,6-8,10-11H2,1-5H3,(H,14,15)
InChIKeyRMCHUWDOEUEKNF-UHFFFAOYSA-N
MW288.54 g/mol
LogP3.78
Rot. Bonds9

About 2-[2-[methyl(trimethylsilyloxy)silyl]ethyl]hept-2-enoic acid

2-[2-[methyl(trimethylsilyloxy)silyl]ethyl]hept-2-enoic acid (PubChem CID 173349939) has the molecular formula C13H28O3Si2 and a molecular weight of 288.54 g/mol. Its IUPAC name is 2-[2-[methyl(trimethylsilyloxy)silyl]ethyl]hept-2-enoic acid.

Molecular Properties

Compound Name2-[2-[methyl(trimethylsilyloxy)silyl]ethyl]hept-2-enoic acid
PubChem CID173349939
Molecular FormulaC13H28O3Si2
Molecular Weight288.54 g/mol
Exact Mass288.16
IUPAC Name2-[2-[methyl(trimethylsilyloxy)silyl]ethyl]hept-2-enoic acid
SMILESCCCCC=C(CC[SiH](C)O[Si](C)(C)C)C(=O)O
InChIInChI=1S/C13H28O3Si2/c1-6-7-8-9-12(13(14)15)10-11-17(2)16-18(3,4)5/h9,17H,6-8,10-11H2,1-5H3,(H,14,15)
InChIKeyRMCHUWDOEUEKNF-UHFFFAOYSA-N
XLogP3.78
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.54
LogP ≤ 53.78
H-Bond Donors ≤ 51
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-butylhept-2-enoic acid;ethenyl acetate
CID 87064174
(E)-2-octyldec-2-enoic acid
CID 87824483
2-octylundec-2-enoic acid
CID 87266721
2-(chloromethyl)hept-2-enoic acid
CID 57071249
(E)-2-(2-methoxyethyl)dec-2-enoic acid
CID 174791406
2-(aminooxymethyl)oct-2-enoic acid
CID 150263469
2-propylhex-2-enedioic acid
CID 163107431
2-(2-hydroxypropyl)hept-2-enoic acid
CID 87793618
(Z)-2-trimethylsilylnon-2-enoic acid
CID 10988027
(E)-2-methoxyhept-2-enoic acid
CID 87190436
2-pentylideneoctanal
CID 57053473
(4Z)-4-trimethylsilylnona-1,4-dien-3-one
CID 121011109

Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl(trimethylsilyloxy)silyl]ethyl]hept-2-enoic acid?
The IUPAC name of 2-[2-[methyl(trimethylsilyloxy)silyl]ethyl]hept-2-enoic acid (CID 173349939) is 2-[2-[methyl(trimethylsilyloxy)silyl]ethyl]hept-2-enoic acid.
What is the SMILES notation for 2-[2-[methyl(trimethylsilyloxy)silyl]ethyl]hept-2-enoic acid?
The canonical SMILES for 2-[2-[methyl(trimethylsilyloxy)silyl]ethyl]hept-2-enoic acid is CCCCC=C(CC[SiH](C)O[Si](C)(C)C)C(=O)O.
What is the InChIKey of 2-[2-[methyl(trimethylsilyloxy)silyl]ethyl]hept-2-enoic acid?
The InChIKey is RMCHUWDOEUEKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O3Si2/c1-6-7-8-9-12(13(14)15)10-11-17(2)16-18(3,4)5/h9,17H,6-8,10-11H2,1-5H3,(H,14,15).
What are the key properties of 2-[2-[methyl(trimethylsilyloxy)silyl]ethyl]hept-2-enoic acid?
2-[2-[methyl(trimethylsilyloxy)silyl]ethyl]hept-2-enoic acid has a molecular weight of 288.54 g/mol, XLogP of 3.78, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl(trimethylsilyloxy)silyl]ethyl]hept-2-enoic acid is sourced from PubChem (CID 173349939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).