(6-ethoxy-6-triethylsilyloxyhexyl) 2-hexyldecanoate

C30H62O4Si — CID 170743259

IUPAC(6-ethoxy-6-triethylsilyloxyhexyl) 2-hexyldecanoate
SMILESCCCCCCCCC(CCCCCC)C(=O)OCCCCCC(OCC)O[Si](CC)(CC)CC
InChIInChI=1S/C30H62O4Si/c1-7-13-15-17-18-21-25-28(24-20-16-14-8-2)30(31)33-27-23-19-22-26-29(32-9-3)34-35(10-4,11-5)12-6/h28-29H,7-27H2,1-6H3
InChIKeyZMHBOZOPWBUTAG-UHFFFAOYSA-N
MW514.91 g/mol
LogP9.81
Rot. Bonds26

About (6-ethoxy-6-triethylsilyloxyhexyl) 2-hexyldecanoate

(6-ethoxy-6-triethylsilyloxyhexyl) 2-hexyldecanoate (PubChem CID 170743259) has the molecular formula C30H62O4Si and a molecular weight of 514.91 g/mol. Its IUPAC name is (6-ethoxy-6-triethylsilyloxyhexyl) 2-hexyldecanoate.

Molecular Properties

Compound Name(6-ethoxy-6-triethylsilyloxyhexyl) 2-hexyldecanoate
PubChem CID170743259
Molecular FormulaC30H62O4Si
Molecular Weight514.91 g/mol
Exact Mass514.44
IUPAC Name(6-ethoxy-6-triethylsilyloxyhexyl) 2-hexyldecanoate
SMILESCCCCCCCCC(CCCCCC)C(=O)OCCCCCC(OCC)O[Si](CC)(CC)CC
InChIInChI=1S/C30H62O4Si/c1-7-13-15-17-18-21-25-28(24-20-16-14-8-2)30(31)33-27-23-19-22-26-29(32-9-3)34-35(10-4,11-5)12-6/h28-29H,7-27H2,1-6H3
InChIKeyZMHBOZOPWBUTAG-UHFFFAOYSA-N
XLogP9.81
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds26
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.91
LogP ≤ 59.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6-ethoxy-6-triethylsilyloxyhexyl) 2-hexyldecanoate?
The IUPAC name of (6-ethoxy-6-triethylsilyloxyhexyl) 2-hexyldecanoate (CID 170743259) is (6-ethoxy-6-triethylsilyloxyhexyl) 2-hexyldecanoate.
What is the SMILES notation for (6-ethoxy-6-triethylsilyloxyhexyl) 2-hexyldecanoate?
The canonical SMILES for (6-ethoxy-6-triethylsilyloxyhexyl) 2-hexyldecanoate is CCCCCCCCC(CCCCCC)C(=O)OCCCCCC(OCC)O[Si](CC)(CC)CC.
What is the InChIKey of (6-ethoxy-6-triethylsilyloxyhexyl) 2-hexyldecanoate?
The InChIKey is ZMHBOZOPWBUTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H62O4Si/c1-7-13-15-17-18-21-25-28(24-20-16-14-8-2)30(31)33-27-23-19-22-26-29(32-9-3)34-35(10-4,11-5)12-6/h28-29H,7-27H2,1-6H3.
What are the key properties of (6-ethoxy-6-triethylsilyloxyhexyl) 2-hexyldecanoate?
(6-ethoxy-6-triethylsilyloxyhexyl) 2-hexyldecanoate has a molecular weight of 514.91 g/mol, XLogP of 9.81, 26 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethoxy-6-triethylsilyloxyhexyl) 2-hexyldecanoate is sourced from PubChem (CID 170743259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).