CID 136677687

C26H54O6Si3 — CID 136677687

IUPAC—
SMILESC[Si](C)(CCCCCCCCCCC(=O)O)O[Si]O[Si](C)(C)CCCCCCCCCCC(=O)O
InChIInChI=1S/C26H54O6Si3/c1-34(2,23-19-15-11-7-5-9-13-17-21-25(27)28)31-33-32-35(3,4)24-20-16-12-8-6-10-14-18-22-26(29)30/h5-24H2,1-4H3,(H,27,28)(H,29,30)
InChIKeyJVKROLYGNONSNV-UHFFFAOYSA-N
MW546.97 g/mol
LogP8.15
Rot. Bonds26

About CID 136677687

CID 136677687 (PubChem CID 136677687) has the molecular formula C26H54O6Si3 and a molecular weight of 546.97 g/mol.

Molecular Properties

Compound NameCID 136677687
PubChem CID136677687
Molecular FormulaC26H54O6Si3
Molecular Weight546.97 g/mol
Exact Mass546.32
IUPAC Name—
SMILESC[Si](C)(CCCCCCCCCCC(=O)O)O[Si]O[Si](C)(C)CCCCCCCCCCC(=O)O
InChIInChI=1S/C26H54O6Si3/c1-34(2,23-19-15-11-7-5-9-13-17-21-25(27)28)31-33-32-35(3,4)24-20-16-12-8-6-10-14-18-22-26(29)30/h5-24H2,1-4H3,(H,27,28)(H,29,30)
InChIKeyJVKROLYGNONSNV-UHFFFAOYSA-N
XLogP8.15
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds26
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.97
LogP ≤ 58.15
H-Bond Donors ≤ 52
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

6-[bis[[5-carboxypentyl(dimethyl)silyl]oxysilyl]methylsilyloxy-dimethylsilyl]hexanoic acid
CID 159489769
11-[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]undecanoic acid
CID 102202619
27-[chloro(dimethyl)silyl]heptacosanoic acid
CID 87685703
23-[chloro(dimethyl)silyl]tricosanoic acid
CID 87683997
methanol;tridecanedioic acid
CID 175511493
4-[[[[[3-carboxypropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]butanoic acid
CID 102394248
11-tris[[dimethyl-[2-tris(trimethylsilyloxy)silylethyl]silyl]oxy]silylundecanoic acid
CID 58363243
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965
decanedioic acid;icosanedioic acid
CID 161217033
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511

Frequently Asked Questions

What is the IUPAC name of CID 136677687?
The IUPAC name of CID 136677687 (CID 136677687) is not available.
What is the SMILES notation for CID 136677687?
The canonical SMILES for CID 136677687 is C[Si](C)(CCCCCCCCCCC(=O)O)O[Si]O[Si](C)(C)CCCCCCCCCCC(=O)O.
What is the InChIKey of CID 136677687?
The InChIKey is JVKROLYGNONSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54O6Si3/c1-34(2,23-19-15-11-7-5-9-13-17-21-25(27)28)31-33-32-35(3,4)24-20-16-12-8-6-10-14-18-22-26(29)30/h5-24H2,1-4H3,(H,27,28)(H,29,30).
What are the key properties of CID 136677687?
CID 136677687 has a molecular weight of 546.97 g/mol, XLogP of 8.15, 26 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136677687 is sourced from PubChem (CID 136677687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).