trimethylsilyl 2-[1-[(1-chloroethoxycarbonylamino)methyl]cyclohexyl]acetate

C15H28ClNO4Si — CID 69331107

IUPACtrimethylsilyl 2-[1-[(1-chloroethoxycarbonylamino)methyl]cyclohexyl]acetate
SMILESCC(Cl)OC(=O)NCC1(CC(=O)O[Si](C)(C)C)CCCCC1
InChIInChI=1S/C15H28ClNO4Si/c1-12(16)20-14(19)17-11-15(8-6-5-7-9-15)10-13(18)21-22(2,3)4/h12H,5-11H2,1-4H3,(H,17,19)
InChIKeyDUSVPQAKRPGACE-UHFFFAOYSA-N
MW349.93 g/mol
LogP4.02
Rot. Bonds6

About trimethylsilyl 2-[1-[(1-chloroethoxycarbonylamino)methyl]cyclohexyl]acetate

trimethylsilyl 2-[1-[(1-chloroethoxycarbonylamino)methyl]cyclohexyl]acetate (PubChem CID 69331107) has the molecular formula C15H28ClNO4Si and a molecular weight of 349.93 g/mol. Its IUPAC name is trimethylsilyl 2-[1-[(1-chloroethoxycarbonylamino)methyl]cyclohexyl]acetate.

Molecular Properties

Compound Nametrimethylsilyl 2-[1-[(1-chloroethoxycarbonylamino)methyl]cyclohexyl]acetate
PubChem CID69331107
Molecular FormulaC15H28ClNO4Si
Molecular Weight349.93 g/mol
Exact Mass349.15
IUPAC Nametrimethylsilyl 2-[1-[(1-chloroethoxycarbonylamino)methyl]cyclohexyl]acetate
SMILESCC(Cl)OC(=O)NCC1(CC(=O)O[Si](C)(C)C)CCCCC1
InChIInChI=1S/C15H28ClNO4Si/c1-12(16)20-14(19)17-11-15(8-6-5-7-9-15)10-13(18)21-22(2,3)4/h12H,5-11H2,1-4H3,(H,17,19)
InChIKeyDUSVPQAKRPGACE-UHFFFAOYSA-N
XLogP4.02
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.93
LogP ≤ 54.02
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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Related Compounds

trimethylsilyl 2-[1-[[(1-chloro-2-methylpropoxy)carbonylamino]methyl]cyclohexyl]acetate
CID 69331057
2-[1-[[[(2R)-4-methyl-3-oxopentan-2-yl]oxycarbonylamino]methyl]cyclohexyl]acetic acid
CID 66863907
2-[1-[[[1-(2-amino-2-methylpropanoyl)oxy-2-methylpropoxy]carbonylamino]methyl]cyclohexyl]acetic acid
CID 11959209
methyl 2-[1-(acetamidomethyl)cyclopentyl]acetate
CID 142068659
2-[1-[(1-pentanoyloxyethoxycarbonylamino)methyl]cyclohexyl]acetic acid
CID 10132201
propan-2-yl N-[(1-methylcyclopentyl)methyl]carbamate
CID 116656090
methyl N-[[1-[(methoxycarbonylamino)methyl]cyclohexyl]methyl]carbamate
CID 19883848
2-[1-[[1-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxyethoxycarbonylamino]methyl]cyclohexyl]acetic acid
CID 90049732
2-[1-[[(1-benzoyloxy-2-methylpropoxy)carbonylamino]methyl]cyclohexyl]acetic acid
CID 11959210
methylsulfonyl 2-[1-[(ethoxycarbonylamino)methyl]cyclohexyl]acetate
CID 89420121
ethyl 2-[1-[[(2-amino-3-hydroxypropanoyl)amino]methyl]cyclohexyl]acetate
CID 11414953
2-[1-[[1-(2-oxo-2-phenylacetyl)oxyethoxycarbonylamino]methyl]cyclohexyl]acetic acid
CID 10271751

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2-[1-[(1-chloroethoxycarbonylamino)methyl]cyclohexyl]acetate?
The IUPAC name of trimethylsilyl 2-[1-[(1-chloroethoxycarbonylamino)methyl]cyclohexyl]acetate (CID 69331107) is trimethylsilyl 2-[1-[(1-chloroethoxycarbonylamino)methyl]cyclohexyl]acetate.
What is the SMILES notation for trimethylsilyl 2-[1-[(1-chloroethoxycarbonylamino)methyl]cyclohexyl]acetate?
The canonical SMILES for trimethylsilyl 2-[1-[(1-chloroethoxycarbonylamino)methyl]cyclohexyl]acetate is CC(Cl)OC(=O)NCC1(CC(=O)O[Si](C)(C)C)CCCCC1.
What is the InChIKey of trimethylsilyl 2-[1-[(1-chloroethoxycarbonylamino)methyl]cyclohexyl]acetate?
The InChIKey is DUSVPQAKRPGACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28ClNO4Si/c1-12(16)20-14(19)17-11-15(8-6-5-7-9-15)10-13(18)21-22(2,3)4/h12H,5-11H2,1-4H3,(H,17,19).
What are the key properties of trimethylsilyl 2-[1-[(1-chloroethoxycarbonylamino)methyl]cyclohexyl]acetate?
trimethylsilyl 2-[1-[(1-chloroethoxycarbonylamino)methyl]cyclohexyl]acetate has a molecular weight of 349.93 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-[1-[(1-chloroethoxycarbonylamino)methyl]cyclohexyl]acetate is sourced from PubChem (CID 69331107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).