2-(3-trimethylsilylpropoxy)ethyl 6-methoxyhexanoate

C15H32O4Si — CID 177065450

IUPAC2-(3-trimethylsilylpropoxy)ethyl 6-methoxyhexanoate
SMILESCOCCCCCC(=O)OCCOCCC[Si](C)(C)C
InChIInChI=1S/C15H32O4Si/c1-17-10-7-5-6-9-15(16)19-13-12-18-11-8-14-20(2,3)4/h5-14H2,1-4H3
InChIKeyKGMMZNBKDPCGCI-UHFFFAOYSA-N
MW304.50 g/mol
LogP3.48
Rot. Bonds13

About 2-(3-trimethylsilylpropoxy)ethyl 6-methoxyhexanoate

2-(3-trimethylsilylpropoxy)ethyl 6-methoxyhexanoate (PubChem CID 177065450) has the molecular formula C15H32O4Si and a molecular weight of 304.50 g/mol. Its IUPAC name is 2-(3-trimethylsilylpropoxy)ethyl 6-methoxyhexanoate.

Molecular Properties

Compound Name2-(3-trimethylsilylpropoxy)ethyl 6-methoxyhexanoate
PubChem CID177065450
Molecular FormulaC15H32O4Si
Molecular Weight304.50 g/mol
Exact Mass304.21
IUPAC Name2-(3-trimethylsilylpropoxy)ethyl 6-methoxyhexanoate
SMILESCOCCCCCC(=O)OCCOCCC[Si](C)(C)C
InChIInChI=1S/C15H32O4Si/c1-17-10-7-5-6-9-15(16)19-13-12-18-11-8-14-20(2,3)4/h5-14H2,1-4H3
InChIKeyKGMMZNBKDPCGCI-UHFFFAOYSA-N
XLogP3.48
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2-methoxyethyl 5-methoxypentanoate
CID 58454735
2-(3-methoxypropoxy)ethyl 6-aminohexanoate
CID 103178476
ethyl 6-[2-(3-methoxypropoxy)ethoxy]hexanoate
CID 103176658
ethyl 10-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]decanoate
CID 118671454
2-(2-methoxyethoxy)ethyl dodecanoate
CID 10990309
2-(2-hexoxyethoxy)ethyl decanoate
CID 139604752
2-(2-hexoxyethoxy)ethyl octadecanoate
CID 139604732
2-pentoxyethyl hexadecanoate
CID 139604749
2-(2-pentoxyethoxy)ethyl tetradecanoate
CID 139604741
2-dodecoxyethyl octadecanoate
CID 23042460
hexadecyl 4-(2-methoxyethoxy)butanoate
CID 121469419
octyl 4-(2-methoxyethoxy)butanoate
CID 121469621

Frequently Asked Questions

What is the IUPAC name of 2-(3-trimethylsilylpropoxy)ethyl 6-methoxyhexanoate?
The IUPAC name of 2-(3-trimethylsilylpropoxy)ethyl 6-methoxyhexanoate (CID 177065450) is 2-(3-trimethylsilylpropoxy)ethyl 6-methoxyhexanoate.
What is the SMILES notation for 2-(3-trimethylsilylpropoxy)ethyl 6-methoxyhexanoate?
The canonical SMILES for 2-(3-trimethylsilylpropoxy)ethyl 6-methoxyhexanoate is COCCCCCC(=O)OCCOCCC[Si](C)(C)C.
What is the InChIKey of 2-(3-trimethylsilylpropoxy)ethyl 6-methoxyhexanoate?
The InChIKey is KGMMZNBKDPCGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O4Si/c1-17-10-7-5-6-9-15(16)19-13-12-18-11-8-14-20(2,3)4/h5-14H2,1-4H3.
What are the key properties of 2-(3-trimethylsilylpropoxy)ethyl 6-methoxyhexanoate?
2-(3-trimethylsilylpropoxy)ethyl 6-methoxyhexanoate has a molecular weight of 304.50 g/mol, XLogP of 3.48, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-trimethylsilylpropoxy)ethyl 6-methoxyhexanoate is sourced from PubChem (CID 177065450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).