12-[tert-butyl(diphenyl)silyl]oxydodecyl 2-methoxyacetate

C31H48O4Si — CID 10907379

IUPAC12-[tert-butyl(diphenyl)silyl]oxydodecyl 2-methoxyacetate
SMILESCOCC(=O)OCCCCCCCCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C31H48O4Si/c1-31(2,3)36(28-21-15-13-16-22-28,29-23-17-14-18-24-29)35-26-20-12-10-8-6-5-7-9-11-19-25-34-30(32)27-33-4/h13-18,21-24H,5-12,19-20,25-27H2,1-4H3
InChIKeyBCJCOEYOHYGJNF-UHFFFAOYSA-N
MW512.81 g/mol
LogP6.65
Rot. Bonds18

About 12-[tert-butyl(diphenyl)silyl]oxydodecyl 2-methoxyacetate

12-[tert-butyl(diphenyl)silyl]oxydodecyl 2-methoxyacetate (PubChem CID 10907379) has the molecular formula C31H48O4Si and a molecular weight of 512.81 g/mol. Its IUPAC name is 12-[tert-butyl(diphenyl)silyl]oxydodecyl 2-methoxyacetate.

Molecular Properties

Compound Name12-[tert-butyl(diphenyl)silyl]oxydodecyl 2-methoxyacetate
PubChem CID10907379
Molecular FormulaC31H48O4Si
Molecular Weight512.81 g/mol
Exact Mass512.33
IUPAC Name12-[tert-butyl(diphenyl)silyl]oxydodecyl 2-methoxyacetate
SMILESCOCC(=O)OCCCCCCCCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C31H48O4Si/c1-31(2,3)36(28-21-15-13-16-22-28,29-23-17-14-18-24-29)35-26-20-12-10-8-6-5-7-9-11-19-25-34-30(32)27-33-4/h13-18,21-24H,5-12,19-20,25-27H2,1-4H3
InChIKeyBCJCOEYOHYGJNF-UHFFFAOYSA-N
XLogP6.65
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.81
LogP ≤ 56.65
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'}

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Related Compounds

5-[tert-butyl(diphenyl)silyl]oxypentyl 2-methylprop-2-enoate
CID 172860642
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptan-2-ol
CID 102173958
tert-butyl-(10-iododecoxy)-diphenylsilane
CID 10994946
tert-butyl-(5-iodopentoxy)-diphenylsilane
CID 10003991
8-bromooctoxy-tert-butyl-diphenylsilane
CID 22444390
4-[5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]furan-2-yl]butyl acetate
CID 16663523
tert-butyl-[6-(methoxymethoxy)-6-methylheptoxy]-diphenylsilane
CID 102173957
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
2,2,2-trichloroethyl 2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]acetate
CID 70879739
2-[4-[tert-butyl(diphenyl)silyl]oxybutoxy]ethanol
CID 156707018

Frequently Asked Questions

What is the IUPAC name of 12-[tert-butyl(diphenyl)silyl]oxydodecyl 2-methoxyacetate?
The IUPAC name of 12-[tert-butyl(diphenyl)silyl]oxydodecyl 2-methoxyacetate (CID 10907379) is 12-[tert-butyl(diphenyl)silyl]oxydodecyl 2-methoxyacetate.
What is the SMILES notation for 12-[tert-butyl(diphenyl)silyl]oxydodecyl 2-methoxyacetate?
The canonical SMILES for 12-[tert-butyl(diphenyl)silyl]oxydodecyl 2-methoxyacetate is COCC(=O)OCCCCCCCCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 12-[tert-butyl(diphenyl)silyl]oxydodecyl 2-methoxyacetate?
The InChIKey is BCJCOEYOHYGJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H48O4Si/c1-31(2,3)36(28-21-15-13-16-22-28,29-23-17-14-18-24-29)35-26-20-12-10-8-6-5-7-9-11-19-25-34-30(32)27-33-4/h13-18,21-24H,5-12,19-20,25-27H2,1-4H3.
What are the key properties of 12-[tert-butyl(diphenyl)silyl]oxydodecyl 2-methoxyacetate?
12-[tert-butyl(diphenyl)silyl]oxydodecyl 2-methoxyacetate has a molecular weight of 512.81 g/mol, XLogP of 6.65, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[tert-butyl(diphenyl)silyl]oxydodecyl 2-methoxyacetate is sourced from PubChem (CID 10907379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).