tetrakis(carbon dioxide);5-[[5-carboxypentyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-dimethylsilyl]-2-methylpentanoic acid;(Z)-hex-2-ene;methane

C34H74O15Si4 — CID 160812661

IUPACtetrakis(carbon dioxide);5-[[5-carboxypentyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-dimethylsilyl]-2-methylpentanoic acid;(Z)-hex-2-ene;methane
SMILESC.C.C.C.C/C=C\CCC.CC(CCC[Si](C)(C)O[Si](C)(CCCCCC(=O)O)O[Si](C)(C)O[Si](C)(C)C)C(=O)O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C20H46O7Si4.C6H12.4CO2.4CH4/c1-18(20(23)24)14-13-16-29(5,6)26-31(9,17-12-10-11-15-19(21)22)27-30(7,8)25-28(2,3)4;1-3-5-6-4-2;4*2-1-3;;;;/h18H,10-17H2,1-9H3,(H,21,22)(H,23,24);3,5H,4,6H2,1-2H3;;;;;4*1H4/b;5-3-;;;;;;;;
InChIKeySEMRCDGXBDENIU-IGQKHHDESA-N
MW835.29 g/mol
LogP8.57
Rot. Bonds19

About tetrakis(carbon dioxide);5-[[5-carboxypentyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-dimethylsilyl]-2-methylpentanoic acid;(Z)-hex-2-ene;methane

tetrakis(carbon dioxide);5-[[5-carboxypentyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-dimethylsilyl]-2-methylpentanoic acid;(Z)-hex-2-ene;methane (PubChem CID 160812661) has the molecular formula C34H74O15Si4 and a molecular weight of 835.29 g/mol. Its IUPAC name is tetrakis(carbon dioxide);5-[[5-carboxypentyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-dimethylsilyl]-2-methylpentanoic acid;(Z)-hex-2-ene;methane.

Molecular Properties

Compound Nametetrakis(carbon dioxide);5-[[5-carboxypentyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-dimethylsilyl]-2-methylpentanoic acid;(Z)-hex-2-ene;methane
PubChem CID160812661
Molecular FormulaC34H74O15Si4
Molecular Weight835.29 g/mol
Exact Mass834.41
IUPAC Nametetrakis(carbon dioxide);5-[[5-carboxypentyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-dimethylsilyl]-2-methylpentanoic acid;(Z)-hex-2-ene;methane
SMILESC.C.C.C.C/C=C\CCC.CC(CCC[Si](C)(C)O[Si](C)(CCCCCC(=O)O)O[Si](C)(C)O[Si](C)(C)C)C(=O)O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C20H46O7Si4.C6H12.4CO2.4CH4/c1-18(20(23)24)14-13-16-29(5,6)26-31(9,17-12-10-11-15-19(21)22)27-30(7,8)25-28(2,3)4;1-3-5-6-4-2;4*2-1-3;;;;/h18H,10-17H2,1-9H3,(H,21,22)(H,23,24);3,5H,4,6H2,1-2H3;;;;;4*1H4/b;5-3-;;;;;;;;
InChIKeySEMRCDGXBDENIU-IGQKHHDESA-N
XLogP8.57
TPSA238.85 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds19
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500835.29
LogP ≤ 58.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tetrakis(carbon dioxide);5-[[5-carboxypentyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-dimethylsilyl]-2-methylpentanoic acid;(Z)-hex-2-ene;methane?
The IUPAC name of tetrakis(carbon dioxide);5-[[5-carboxypentyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-dimethylsilyl]-2-methylpentanoic acid;(Z)-hex-2-ene;methane (CID 160812661) is tetrakis(carbon dioxide);5-[[5-carboxypentyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-dimethylsilyl]-2-methylpentanoic acid;(Z)-hex-2-ene;methane.
What is the SMILES notation for tetrakis(carbon dioxide);5-[[5-carboxypentyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-dimethylsilyl]-2-methylpentanoic acid;(Z)-hex-2-ene;methane?
The canonical SMILES for tetrakis(carbon dioxide);5-[[5-carboxypentyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-dimethylsilyl]-2-methylpentanoic acid;(Z)-hex-2-ene;methane is C.C.C.C.C/C=C\CCC.CC(CCC[Si](C)(C)O[Si](C)(CCCCCC(=O)O)O[Si](C)(C)O[Si](C)(C)C)C(=O)O.O=C=O.O=C=O.O=C=O.O=C=O.
What is the InChIKey of tetrakis(carbon dioxide);5-[[5-carboxypentyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-dimethylsilyl]-2-methylpentanoic acid;(Z)-hex-2-ene;methane?
The InChIKey is SEMRCDGXBDENIU-IGQKHHDESA-N. The full InChI is InChI=1S/C20H46O7Si4.C6H12.4CO2.4CH4/c1-18(20(23)24)14-13-16-29(5,6)26-31(9,17-12-10-11-15-19(21)22)27-30(7,8)25-28(2,3)4;1-3-5-6-4-2;4*2-1-3;;;;/h18H,10-17H2,1-9H3,(H,21,22)(H,23,24);3,5H,4,6H2,1-2H3;;;;;4*1H4/b;5-3-;;;;;;;;.
What are the key properties of tetrakis(carbon dioxide);5-[[5-carboxypentyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-dimethylsilyl]-2-methylpentanoic acid;(Z)-hex-2-ene;methane?
tetrakis(carbon dioxide);5-[[5-carboxypentyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-dimethylsilyl]-2-methylpentanoic acid;(Z)-hex-2-ene;methane has a molecular weight of 835.29 g/mol, XLogP of 8.57, 19 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(carbon dioxide);5-[[5-carboxypentyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-dimethylsilyl]-2-methylpentanoic acid;(Z)-hex-2-ene;methane is sourced from PubChem (CID 160812661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).