2-[3-[[[[[[[[[[[[3-[2-(4-chloro-4-oxobutanoyl)oxyethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 4-chloro-4-oxobutanoate

C42H100Cl2O19Si12 — CID 155790031

IUPAC2-[3-[[[[[[[[[[[[3-[2-(4-chloro-4-oxobutanoyl)oxyethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 4-chloro-4-oxobutanoate
SMILESC[Si](C)(CCCOCCOC(=O)CCC(=O)Cl)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCOCCOC(=O)CCC(=O)Cl
InChIInChI=1S/C42H100Cl2O19Si12/c1-64(2,37-25-31-49-33-35-51-41(47)29-27-39(43)45)53-66(5,6)55-68(9,10)57-70(13,14)59-72(17,18)61-74(21,22)63-75(23,24)62-73(19,20)60-71(15,16)58-69(11,12)56-67(7,8)54-65(3,4)38-26-32-50-34-36-52-42(48)30-28-40(44)46/h25-38H2,1-24H3
InChIKeySRUYOAZWXWZZID-UHFFFAOYSA-N
MW1317.18 g/mol
LogP11.59
Rot. Bonds42

About 2-[3-[[[[[[[[[[[[3-[2-(4-chloro-4-oxobutanoyl)oxyethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 4-chloro-4-oxobutanoate

2-[3-[[[[[[[[[[[[3-[2-(4-chloro-4-oxobutanoyl)oxyethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 4-chloro-4-oxobutanoate (PubChem CID 155790031) has the molecular formula C42H100Cl2O19Si12 and a molecular weight of 1317.18 g/mol. Its IUPAC name is 2-[3-[[[[[[[[[[[[3-[2-(4-chloro-4-oxobutanoyl)oxyethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 4-chloro-4-oxobutanoate.

Molecular Properties

Compound Name2-[3-[[[[[[[[[[[[3-[2-(4-chloro-4-oxobutanoyl)oxyethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 4-chloro-4-oxobutanoate
PubChem CID155790031
Molecular FormulaC42H100Cl2O19Si12
Molecular Weight1317.18 g/mol
Exact Mass1314.35
IUPAC Name2-[3-[[[[[[[[[[[[3-[2-(4-chloro-4-oxobutanoyl)oxyethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 4-chloro-4-oxobutanoate
SMILESC[Si](C)(CCCOCCOC(=O)CCC(=O)Cl)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCOCCOC(=O)CCC(=O)Cl
InChIInChI=1S/C42H100Cl2O19Si12/c1-64(2,37-25-31-49-33-35-51-41(47)29-27-39(43)45)53-66(5,6)55-68(9,10)57-70(13,14)59-72(17,18)61-74(21,22)63-75(23,24)62-73(19,20)60-71(15,16)58-69(11,12)56-67(7,8)54-65(3,4)38-26-32-50-34-36-52-42(48)30-28-40(44)46/h25-38H2,1-24H3
InChIKeySRUYOAZWXWZZID-UHFFFAOYSA-N
XLogP11.59
TPSA206.73 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds42
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001317.18
LogP ≤ 511.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-[3-[[[[[[[[[[[[3-[2-(4-chloro-4-oxobutanoyl)oxyethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 4-chloro-4-oxobutanoate with MolForge

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Related Compounds

3-[[[dimethyl-[3-[2-(2-methylprop-2-enoyloxy)ethoxy]propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 164811987
2-[3-[[[[[[[[[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 2-methylprop-2-enoate
CID 59620846
2-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 2-methylprop-2-enoate;methane
CID 159570466
2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl ethenyl carbonate
CID 58104910
4-[[[[[3-carboxypropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]butanoic acid
CID 102394248
2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 8-[bis[3-(dimethylamino)propyl]carbamoylamino]octanoate;2-methoxyethyl 8-[bis[3-(dimethylamino)propyl]carbamoylamino]octanoate
CID 158701139
2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]ethanol
CID 20801390
3-(2-methoxyethoxy)propyl-[3-(2-methoxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilane
CID 58607575
2-(3-trimethylsilylpropoxy)ethyl 6-methoxyhexanoate
CID 177065450
2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 4-[[5-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-5-oxopentan-2-yl]diazenyl]-4-cyanopentanoate
CID 140732053
bis[[dimethyl-[3-(2-triethylsilyloxyethoxy)propyl]silyl]oxy]-dimethylsilane
CID 161123400
2-[3-[[[bis[3-(2-hydroxyethoxy)propyl]-methylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethanol
CID 59180551

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[[[[[[[[[[[3-[2-(4-chloro-4-oxobutanoyl)oxyethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 4-chloro-4-oxobutanoate?
The IUPAC name of 2-[3-[[[[[[[[[[[[3-[2-(4-chloro-4-oxobutanoyl)oxyethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 4-chloro-4-oxobutanoate (CID 155790031) is 2-[3-[[[[[[[[[[[[3-[2-(4-chloro-4-oxobutanoyl)oxyethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 4-chloro-4-oxobutanoate.
What is the SMILES notation for 2-[3-[[[[[[[[[[[[3-[2-(4-chloro-4-oxobutanoyl)oxyethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 4-chloro-4-oxobutanoate?
The canonical SMILES for 2-[3-[[[[[[[[[[[[3-[2-(4-chloro-4-oxobutanoyl)oxyethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 4-chloro-4-oxobutanoate is C[Si](C)(CCCOCCOC(=O)CCC(=O)Cl)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCOCCOC(=O)CCC(=O)Cl.
What is the InChIKey of 2-[3-[[[[[[[[[[[[3-[2-(4-chloro-4-oxobutanoyl)oxyethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 4-chloro-4-oxobutanoate?
The InChIKey is SRUYOAZWXWZZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H100Cl2O19Si12/c1-64(2,37-25-31-49-33-35-51-41(47)29-27-39(43)45)53-66(5,6)55-68(9,10)57-70(13,14)59-72(17,18)61-74(21,22)63-75(23,24)62-73(19,20)60-71(15,16)58-69(11,12)56-67(7,8)54-65(3,4)38-26-32-50-34-36-52-42(48)30-28-40(44)46/h25-38H2,1-24H3.
What are the key properties of 2-[3-[[[[[[[[[[[[3-[2-(4-chloro-4-oxobutanoyl)oxyethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 4-chloro-4-oxobutanoate?
2-[3-[[[[[[[[[[[[3-[2-(4-chloro-4-oxobutanoyl)oxyethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 4-chloro-4-oxobutanoate has a molecular weight of 1317.18 g/mol, XLogP of 11.59, 42 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[[[[[[[[[[[3-[2-(4-chloro-4-oxobutanoyl)oxyethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 4-chloro-4-oxobutanoate is sourced from PubChem (CID 155790031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).