[dibutyl-hexanoyloxy-(2-silyloxan-2-yl)-λ6-tellanyl] hexanoate

C25H52O5SiTe — CID 175339116

IUPAC[dibutyl-hexanoyloxy-(2-silyloxan-2-yl)-λ6-tellanyl] hexanoate
SMILESCCCCCC(=O)O[TeH](CCCC)(CCCC)(OC(=O)CCCCC)C1([SiH3])CCCCO1
InChIInChI=1S/C25H52O5SiTe/c1-5-9-13-17-23(26)29-32(21-11-7-3,22-12-8-4,25(31)19-15-16-20-28-25)30-24(27)18-14-10-6-2/h32H,5-22H2,1-4,31H3
InChIKeyKVVGQVFKHHFCDY-UHFFFAOYSA-N
MW588.37 g/mol
LogP5.76
Rot. Bonds17

About [dibutyl-hexanoyloxy-(2-silyloxan-2-yl)-λ6-tellanyl] hexanoate

[dibutyl-hexanoyloxy-(2-silyloxan-2-yl)-λ6-tellanyl] hexanoate (PubChem CID 175339116) has the molecular formula C25H52O5SiTe and a molecular weight of 588.37 g/mol. Its IUPAC name is [dibutyl-hexanoyloxy-(2-silyloxan-2-yl)-λ6-tellanyl] hexanoate.

Molecular Properties

Compound Name[dibutyl-hexanoyloxy-(2-silyloxan-2-yl)-λ6-tellanyl] hexanoate
PubChem CID175339116
Molecular FormulaC25H52O5SiTe
Molecular Weight588.37 g/mol
Exact Mass590.26
IUPAC Name[dibutyl-hexanoyloxy-(2-silyloxan-2-yl)-λ6-tellanyl] hexanoate
SMILESCCCCCC(=O)O[TeH](CCCC)(CCCC)(OC(=O)CCCCC)C1([SiH3])CCCCO1
InChIInChI=1S/C25H52O5SiTe/c1-5-9-13-17-23(26)29-32(21-11-7-3,22-12-8-4,25(31)19-15-16-20-28-25)30-24(27)18-14-10-6-2/h32H,5-22H2,1-4,31H3
InChIKeyKVVGQVFKHHFCDY-UHFFFAOYSA-N
XLogP5.76
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.37
LogP ≤ 55.76
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'}

Analyze [dibutyl-hexanoyloxy-(2-silyloxan-2-yl)-λ6-tellanyl] hexanoate with MolForge

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Related Compounds

(2-silyloxan-2-yl) dodecanoate
CID 174613847
(2-methyl-1,3-dioxan-2-yl) nonanoate
CID 177076090
[1-(pentanoyloxymethyl)cyclohexyl]methyl pentanoate
CID 101298139
methyl 8-(1-heptylcyclohexyl)octanoate
CID 118260042
[2-(octoxymethyl)oxan-2-yl]silane
CID 123215411
cyclohexane;heptan-2-one
CID 159731064
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl octanoate
CID 11230661
[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl heptacosanoate
CID 71770385
(2-hexyloxan-2-yl)silane
CID 123313847
oxan-2-yl octanoate
CID 23405562
2-methyl-1-(2-trimethylsilyloxan-2-yl)octadec-1-en-1-ol
CID 69168268
hexadecanoyl 1-tetradecylcycloheptane-1-carboperoxoate
CID 142756919

Frequently Asked Questions

What is the IUPAC name of [dibutyl-hexanoyloxy-(2-silyloxan-2-yl)-λ6-tellanyl] hexanoate?
The IUPAC name of [dibutyl-hexanoyloxy-(2-silyloxan-2-yl)-λ6-tellanyl] hexanoate (CID 175339116) is [dibutyl-hexanoyloxy-(2-silyloxan-2-yl)-λ6-tellanyl] hexanoate.
What is the SMILES notation for [dibutyl-hexanoyloxy-(2-silyloxan-2-yl)-λ6-tellanyl] hexanoate?
The canonical SMILES for [dibutyl-hexanoyloxy-(2-silyloxan-2-yl)-λ6-tellanyl] hexanoate is CCCCCC(=O)O[TeH](CCCC)(CCCC)(OC(=O)CCCCC)C1([SiH3])CCCCO1.
What is the InChIKey of [dibutyl-hexanoyloxy-(2-silyloxan-2-yl)-λ6-tellanyl] hexanoate?
The InChIKey is KVVGQVFKHHFCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H52O5SiTe/c1-5-9-13-17-23(26)29-32(21-11-7-3,22-12-8-4,25(31)19-15-16-20-28-25)30-24(27)18-14-10-6-2/h32H,5-22H2,1-4,31H3.
What are the key properties of [dibutyl-hexanoyloxy-(2-silyloxan-2-yl)-λ6-tellanyl] hexanoate?
[dibutyl-hexanoyloxy-(2-silyloxan-2-yl)-λ6-tellanyl] hexanoate has a molecular weight of 588.37 g/mol, XLogP of 5.76, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [dibutyl-hexanoyloxy-(2-silyloxan-2-yl)-λ6-tellanyl] hexanoate is sourced from PubChem (CID 175339116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).