trimethylsilyl 2-[1-[[(1-chloro-2-methylpropoxy)carbonylamino]methyl]cyclohexyl]acetate

C17H32ClNO4Si — CID 69331057

IUPACtrimethylsilyl 2-[1-[[(1-chloro-2-methylpropoxy)carbonylamino]methyl]cyclohexyl]acetate
SMILESCC(C)C(Cl)OC(=O)NCC1(CC(=O)O[Si](C)(C)C)CCCCC1
InChIInChI=1S/C17H32ClNO4Si/c1-13(2)15(18)22-16(21)19-12-17(9-7-6-8-10-17)11-14(20)23-24(3,4)5/h13,15H,6-12H2,1-5H3,(H,19,21)
InChIKeyIUZWYNXDDWRNMF-UHFFFAOYSA-N
MW377.99 g/mol
LogP4.65
Rot. Bonds7

About trimethylsilyl 2-[1-[[(1-chloro-2-methylpropoxy)carbonylamino]methyl]cyclohexyl]acetate

trimethylsilyl 2-[1-[[(1-chloro-2-methylpropoxy)carbonylamino]methyl]cyclohexyl]acetate (PubChem CID 69331057) has the molecular formula C17H32ClNO4Si and a molecular weight of 377.99 g/mol. Its IUPAC name is trimethylsilyl 2-[1-[[(1-chloro-2-methylpropoxy)carbonylamino]methyl]cyclohexyl]acetate.

Molecular Properties

Compound Nametrimethylsilyl 2-[1-[[(1-chloro-2-methylpropoxy)carbonylamino]methyl]cyclohexyl]acetate
PubChem CID69331057
Molecular FormulaC17H32ClNO4Si
Molecular Weight377.99 g/mol
Exact Mass377.18
IUPAC Nametrimethylsilyl 2-[1-[[(1-chloro-2-methylpropoxy)carbonylamino]methyl]cyclohexyl]acetate
SMILESCC(C)C(Cl)OC(=O)NCC1(CC(=O)O[Si](C)(C)C)CCCCC1
InChIInChI=1S/C17H32ClNO4Si/c1-13(2)15(18)22-16(21)19-12-17(9-7-6-8-10-17)11-14(20)23-24(3,4)5/h13,15H,6-12H2,1-5H3,(H,19,21)
InChIKeyIUZWYNXDDWRNMF-UHFFFAOYSA-N
XLogP4.65
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.99
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2-[1-[[(1-chloro-2-methylpropoxy)carbonylamino]methyl]cyclohexyl]acetate?
The IUPAC name of trimethylsilyl 2-[1-[[(1-chloro-2-methylpropoxy)carbonylamino]methyl]cyclohexyl]acetate (CID 69331057) is trimethylsilyl 2-[1-[[(1-chloro-2-methylpropoxy)carbonylamino]methyl]cyclohexyl]acetate.
What is the SMILES notation for trimethylsilyl 2-[1-[[(1-chloro-2-methylpropoxy)carbonylamino]methyl]cyclohexyl]acetate?
The canonical SMILES for trimethylsilyl 2-[1-[[(1-chloro-2-methylpropoxy)carbonylamino]methyl]cyclohexyl]acetate is CC(C)C(Cl)OC(=O)NCC1(CC(=O)O[Si](C)(C)C)CCCCC1.
What is the InChIKey of trimethylsilyl 2-[1-[[(1-chloro-2-methylpropoxy)carbonylamino]methyl]cyclohexyl]acetate?
The InChIKey is IUZWYNXDDWRNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32ClNO4Si/c1-13(2)15(18)22-16(21)19-12-17(9-7-6-8-10-17)11-14(20)23-24(3,4)5/h13,15H,6-12H2,1-5H3,(H,19,21).
What are the key properties of trimethylsilyl 2-[1-[[(1-chloro-2-methylpropoxy)carbonylamino]methyl]cyclohexyl]acetate?
trimethylsilyl 2-[1-[[(1-chloro-2-methylpropoxy)carbonylamino]methyl]cyclohexyl]acetate has a molecular weight of 377.99 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-[1-[[(1-chloro-2-methylpropoxy)carbonylamino]methyl]cyclohexyl]acetate is sourced from PubChem (CID 69331057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).