2-[2-[2-[2-[2-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 5-methyl-4-oxohex-5-enoate

C28H58O10Si3 — CID 161401489

IUPAC2-[2-[2-[2-[2-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 5-methyl-4-oxohex-5-enoate
SMILESC=C(C)C(=O)CCC(=O)OCCOCCOCCOCCOCCOCC(C)C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C28H58O10Si3/c1-25(2)27(29)11-12-28(30)36-22-21-34-18-17-32-14-13-31-15-16-33-19-20-35-23-26(3)24-41(10,37-39(4,5)6)38-40(7,8)9/h26H,1,11-24H2,2-10H3
InChIKeyVUHHPTOPGMFSQF-UHFFFAOYSA-N
MW639.02 g/mol
LogP4.95
Rot. Bonds27

About 2-[2-[2-[2-[2-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 5-methyl-4-oxohex-5-enoate

2-[2-[2-[2-[2-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 5-methyl-4-oxohex-5-enoate (PubChem CID 161401489) has the molecular formula C28H58O10Si3 and a molecular weight of 639.02 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 5-methyl-4-oxohex-5-enoate.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 5-methyl-4-oxohex-5-enoate
PubChem CID161401489
Molecular FormulaC28H58O10Si3
Molecular Weight639.02 g/mol
Exact Mass638.33
IUPAC Name2-[2-[2-[2-[2-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 5-methyl-4-oxohex-5-enoate
SMILESC=C(C)C(=O)CCC(=O)OCCOCCOCCOCCOCCOCC(C)C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C28H58O10Si3/c1-25(2)27(29)11-12-28(30)36-22-21-34-18-17-32-14-13-31-15-16-33-19-20-35-23-26(3)24-41(10,37-39(4,5)6)38-40(7,8)9/h26H,1,11-24H2,2-10H3
InChIKeyVUHHPTOPGMFSQF-UHFFFAOYSA-N
XLogP4.95
TPSA107.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds27
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500639.02
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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-[3-methyl-4-[2-(2-methylprop-2-enoyloxy)ethoxy]butoxy]ethyl 2-methylprop-2-enoate
CID 87574395
[2-hydroxy-3-[methyl-bis(trimethylsilyloxy)silyl]propyl] 2-methylprop-2-enoate
CID 118855687
2-[2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 4-oxopentanoate
CID 90396446
2-ethoxyethyl 4-oxopentanoate;1-ethoxypropane;trimethyl(trimethylsilyloxy)silane
CID 158575016
4-O-[2-hydroxy-3-(4-prop-2-enoyloxybutoxy)propyl] 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] butanedioate
CID 122376471
[2-[3-(2-hydroxyethoxy)propoxy]-3-[methyl-bis(trimethylsilyloxy)silyl]propyl] 2-methylprop-2-enoate
CID 87152295
(4-methyl-3-oxopent-4-enyl) butanoate
CID 170015933
2-[2-(2-prop-1-en-2-yloxyethoxy)ethoxy]ethyl prop-2-enoate
CID 141287577
2-(2-bromopropoxy)ethyl prop-2-enoate
CID 57007921
2-methyl-N-[2-methyl-3-[2-[2-methyl-3-(2-methylprop-2-enoylamino)propoxy]ethoxy]propyl]prop-2-enamide
CID 129238388
2-[2-[2-[2-(4-methylpentanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 4-methylpentanoate
CID 88715072
4-[2-(2-methyldecoxy)ethoxy]-4-oxobutanoic acid
CID 157076376

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 5-methyl-4-oxohex-5-enoate?
The IUPAC name of 2-[2-[2-[2-[2-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 5-methyl-4-oxohex-5-enoate (CID 161401489) is 2-[2-[2-[2-[2-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 5-methyl-4-oxohex-5-enoate.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 5-methyl-4-oxohex-5-enoate?
The canonical SMILES for 2-[2-[2-[2-[2-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 5-methyl-4-oxohex-5-enoate is C=C(C)C(=O)CCC(=O)OCCOCCOCCOCCOCCOCC(C)C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of 2-[2-[2-[2-[2-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 5-methyl-4-oxohex-5-enoate?
The InChIKey is VUHHPTOPGMFSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H58O10Si3/c1-25(2)27(29)11-12-28(30)36-22-21-34-18-17-32-14-13-31-15-16-33-19-20-35-23-26(3)24-41(10,37-39(4,5)6)38-40(7,8)9/h26H,1,11-24H2,2-10H3.
What are the key properties of 2-[2-[2-[2-[2-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 5-methyl-4-oxohex-5-enoate?
2-[2-[2-[2-[2-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 5-methyl-4-oxohex-5-enoate has a molecular weight of 639.02 g/mol, XLogP of 4.95, 27 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 5-methyl-4-oxohex-5-enoate is sourced from PubChem (CID 161401489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).