[cyclopentyl(dihexyl)silyl] 2-methyl-3-triethoxysilylpropanoate

C27H56O5Si2 — CID 155659474

IUPAC[cyclopentyl(dihexyl)silyl] 2-methyl-3-triethoxysilylpropanoate
SMILESCCCCCC[Si](CCCCCC)(OC(=O)C(C)C[Si](OCC)(OCC)OCC)C1CCCC1
InChIInChI=1S/C27H56O5Si2/c1-7-12-14-18-22-33(23-19-15-13-8-2,26-20-16-17-21-26)32-27(28)25(6)24-34(29-9-3,30-10-4)31-11-5/h25-26H,7-24H2,1-6H3
InChIKeySNBMJJLBYUBBSS-UHFFFAOYSA-N
MW516.91 g/mol
LogP8.26
Rot. Bonds21

About [cyclopentyl(dihexyl)silyl] 2-methyl-3-triethoxysilylpropanoate

[cyclopentyl(dihexyl)silyl] 2-methyl-3-triethoxysilylpropanoate (PubChem CID 155659474) has the molecular formula C27H56O5Si2 and a molecular weight of 516.91 g/mol. Its IUPAC name is [cyclopentyl(dihexyl)silyl] 2-methyl-3-triethoxysilylpropanoate.

Molecular Properties

Compound Name[cyclopentyl(dihexyl)silyl] 2-methyl-3-triethoxysilylpropanoate
PubChem CID155659474
Molecular FormulaC27H56O5Si2
Molecular Weight516.91 g/mol
Exact Mass516.37
IUPAC Name[cyclopentyl(dihexyl)silyl] 2-methyl-3-triethoxysilylpropanoate
SMILESCCCCCC[Si](CCCCCC)(OC(=O)C(C)C[Si](OCC)(OCC)OCC)C1CCCC1
InChIInChI=1S/C27H56O5Si2/c1-7-12-14-18-22-33(23-19-15-13-8-2,26-20-16-17-21-26)32-27(28)25(6)24-34(29-9-3,30-10-4)31-11-5/h25-26H,7-24H2,1-6H3
InChIKeySNBMJJLBYUBBSS-UHFFFAOYSA-N
XLogP8.26
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds21
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.91
LogP ≤ 58.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

[hexyl-di(propan-2-yl)silyl] 2-methyl-3-triethoxysilylpropanoate
CID 155659421
[pentyl-di(propan-2-yl)silyl] 2-methyl-3-triethoxysilylpropanoate
CID 155659456
[ditert-butyl(cyclopentyl)silyl] 2-methyl-3-triethoxysilylpropanoate
CID 155659528
[ditert-butyl(pentyl)silyl] 2-methyl-3-triethoxysilylpropanoate
CID 155659210
[dibutyl(tert-butyl)silyl] 2-methyl-3-triethoxysilylpropanoate
CID 155659186
CID 155659347
CID 155659347
[methyl-di(propan-2-yl)silyl] 2-methyl-3-triethoxysilylpropanoate
CID 151495490
[butan-2-yl-bis(2-methylpropyl)silyl] 2-methyl-3-triethoxysilylpropanoate
CID 155659500
dodecyl(triethoxy)silane;tridecane
CID 174970002
triethoxy(henicosyl)silane
CID 141362894
triethoxy(nonyl)silane;triethoxy(octyl)silane
CID 175508301
triethoxy(nonyl)silane;hydrofluoride
CID 161088856

Frequently Asked Questions

What is the IUPAC name of [cyclopentyl(dihexyl)silyl] 2-methyl-3-triethoxysilylpropanoate?
The IUPAC name of [cyclopentyl(dihexyl)silyl] 2-methyl-3-triethoxysilylpropanoate (CID 155659474) is [cyclopentyl(dihexyl)silyl] 2-methyl-3-triethoxysilylpropanoate.
What is the SMILES notation for [cyclopentyl(dihexyl)silyl] 2-methyl-3-triethoxysilylpropanoate?
The canonical SMILES for [cyclopentyl(dihexyl)silyl] 2-methyl-3-triethoxysilylpropanoate is CCCCCC[Si](CCCCCC)(OC(=O)C(C)C[Si](OCC)(OCC)OCC)C1CCCC1.
What is the InChIKey of [cyclopentyl(dihexyl)silyl] 2-methyl-3-triethoxysilylpropanoate?
The InChIKey is SNBMJJLBYUBBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H56O5Si2/c1-7-12-14-18-22-33(23-19-15-13-8-2,26-20-16-17-21-26)32-27(28)25(6)24-34(29-9-3,30-10-4)31-11-5/h25-26H,7-24H2,1-6H3.
What are the key properties of [cyclopentyl(dihexyl)silyl] 2-methyl-3-triethoxysilylpropanoate?
[cyclopentyl(dihexyl)silyl] 2-methyl-3-triethoxysilylpropanoate has a molecular weight of 516.91 g/mol, XLogP of 8.26, 21 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclopentyl(dihexyl)silyl] 2-methyl-3-triethoxysilylpropanoate is sourced from PubChem (CID 155659474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).