CID 177268726

C19H40O6Si3 — CID 177268726

IUPAC—
SMILESC=C(C)C(=O)OCC(CO)COCCC[Si](C)(C)O[Si]O[Si](C)(C)CCCC
InChIInChI=1S/C19H40O6Si3/c1-8-9-12-27(4,5)24-26-25-28(6,7)13-10-11-22-15-18(14-20)16-23-19(21)17(2)3/h18,20H,2,8-16H2,1,3-7H3
InChIKeySFAZEAWUNILVLX-UHFFFAOYSA-N
MW448.78 g/mol
LogP3.90
Rot. Bonds17

About CID 177268726

CID 177268726 (PubChem CID 177268726) has the molecular formula C19H40O6Si3 and a molecular weight of 448.78 g/mol.

Molecular Properties

Compound NameCID 177268726
PubChem CID177268726
Molecular FormulaC19H40O6Si3
Molecular Weight448.78 g/mol
Exact Mass448.21
IUPAC Name—
SMILESC=C(C)C(=O)OCC(CO)COCCC[Si](C)(C)O[Si]O[Si](C)(C)CCCC
InChIInChI=1S/C19H40O6Si3/c1-8-9-12-27(4,5)24-26-25-28(6,7)13-10-11-22-15-18(14-20)16-23-19(21)17(2)3/h18,20H,2,8-16H2,1,3-7H3
InChIKeySFAZEAWUNILVLX-UHFFFAOYSA-N
XLogP3.90
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.78
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

[3-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]-2-hydroxypropyl] 2-methylprop-2-enoate
CID 23527263
[1-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-3-hydroxypropan-2-yl] 2-methylprop-2-enoate
CID 102146077
3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 22094222
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-[dimethyl(pentoxy)silyl]propoxy]ethyl 2-methylprop-2-enoate
CID 139816464
[2-(2-hydroxyethoxymethyl)-3-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]propyl] 2-methylprop-2-enoate
CID 134246213
2-[2-(3-tributylsilylpropoxy)ethoxy]ethyl 2-methylprop-2-enoate
CID 140661842
3-[3-[dimethyl(propoxy)silyl]propoxy]propyl 2-methylprop-2-enoate
CID 139816501
2-heptylundecyl 2-methylprop-2-enoate
CID 90816570
[(2S)-2-ethylhexyl] 2-methylprop-2-enoate
CID 6993188
2-hexadecyldocosyl 2-methylprop-2-enoate
CID 140764286

Frequently Asked Questions

What is the IUPAC name of CID 177268726?
The IUPAC name of CID 177268726 (CID 177268726) is not available.
What is the SMILES notation for CID 177268726?
The canonical SMILES for CID 177268726 is C=C(C)C(=O)OCC(CO)COCCC[Si](C)(C)O[Si]O[Si](C)(C)CCCC.
What is the InChIKey of CID 177268726?
The InChIKey is SFAZEAWUNILVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O6Si3/c1-8-9-12-27(4,5)24-26-25-28(6,7)13-10-11-22-15-18(14-20)16-23-19(21)17(2)3/h18,20H,2,8-16H2,1,3-7H3.
What are the key properties of CID 177268726?
CID 177268726 has a molecular weight of 448.78 g/mol, XLogP of 3.90, 17 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177268726 is sourced from PubChem (CID 177268726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).