triethylsilyl 6-iodohexanoate

C12H25IO2Si — CID 10926360

IUPACtriethylsilyl 6-iodohexanoate
SMILESCC[Si](CC)(CC)OC(=O)CCCCCI
InChIInChI=1S/C12H25IO2Si/c1-4-16(5-2,6-3)15-12(14)10-8-7-9-11-13/h4-11H2,1-3H3
InChIKeyDBMMNIAGJVZUTA-UHFFFAOYSA-N
MW356.32 g/mol
LogP4.53
Rot. Bonds9

About triethylsilyl 6-iodohexanoate

triethylsilyl 6-iodohexanoate (PubChem CID 10926360) has the molecular formula C12H25IO2Si and a molecular weight of 356.32 g/mol. Its IUPAC name is triethylsilyl 6-iodohexanoate.

Molecular Properties

Compound Nametriethylsilyl 6-iodohexanoate
PubChem CID10926360
Molecular FormulaC12H25IO2Si
Molecular Weight356.32 g/mol
Exact Mass356.07
IUPAC Nametriethylsilyl 6-iodohexanoate
SMILESCC[Si](CC)(CC)OC(=O)CCCCCI
InChIInChI=1S/C12H25IO2Si/c1-4-16(5-2,6-3)15-12(14)10-8-7-9-11-13/h4-11H2,1-3H3
InChIKeyDBMMNIAGJVZUTA-UHFFFAOYSA-N
XLogP4.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.32
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

triethylsilyl 4-bromobutanoate
CID 10945872
ethyl 6-iodohexanoate
CID 10880140
methyl 10-iododecanoate
CID 11758755
6-iodohexaneperoxoic acid
CID 87969100
tert-butyl 10-iododecanoate
CID 139600441
methyl 16-iodohexadec-11-enoate
CID 123758185
methyl 12-bromododecanoate;methyl 12-iodododecanoate
CID 161281247
12-iodododecanamide
CID 54059305
trimethylsilyl icosanoate
CID 521648
triethyl(5-iodopentoxy)silane
CID 15337137
[dimethyl(trimethylsilyl)silyl] heptanoate
CID 554818
trioctylsilyl 4-chlorobutanoate
CID 87706468

Frequently Asked Questions

What is the IUPAC name of triethylsilyl 6-iodohexanoate?
The IUPAC name of triethylsilyl 6-iodohexanoate (CID 10926360) is triethylsilyl 6-iodohexanoate.
What is the SMILES notation for triethylsilyl 6-iodohexanoate?
The canonical SMILES for triethylsilyl 6-iodohexanoate is CC[Si](CC)(CC)OC(=O)CCCCCI.
What is the InChIKey of triethylsilyl 6-iodohexanoate?
The InChIKey is DBMMNIAGJVZUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25IO2Si/c1-4-16(5-2,6-3)15-12(14)10-8-7-9-11-13/h4-11H2,1-3H3.
What are the key properties of triethylsilyl 6-iodohexanoate?
triethylsilyl 6-iodohexanoate has a molecular weight of 356.32 g/mol, XLogP of 4.53, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethylsilyl 6-iodohexanoate is sourced from PubChem (CID 10926360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).