N-[4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-6-hydroxy-2,3-dimethylcyclohexyl]acetamide

C19H39NO3Si — CID 165018992

IUPACN-[4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-6-hydroxy-2,3-dimethylcyclohexyl]acetamide
SMILESCC(=O)NC1C(O)CC(CO[Si](C)(C)C(C)(C)C(C)C)C(C)C1C
InChIInChI=1S/C19H39NO3Si/c1-12(2)19(6,7)24(8,9)23-11-16-10-17(22)18(20-15(5)21)14(4)13(16)3/h12-14,16-18,22H,10-11H2,1-9H3,(H,20,21)
InChIKeyWWFBZBKMUALGAU-UHFFFAOYSA-N
MW357.61 g/mol
LogP3.80
Rot. Bonds6

About N-[4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-6-hydroxy-2,3-dimethylcyclohexyl]acetamide

N-[4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-6-hydroxy-2,3-dimethylcyclohexyl]acetamide (PubChem CID 165018992) has the molecular formula C19H39NO3Si and a molecular weight of 357.61 g/mol. Its IUPAC name is N-[4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-6-hydroxy-2,3-dimethylcyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-6-hydroxy-2,3-dimethylcyclohexyl]acetamide
PubChem CID165018992
Molecular FormulaC19H39NO3Si
Molecular Weight357.61 g/mol
Exact Mass357.27
IUPAC NameN-[4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-6-hydroxy-2,3-dimethylcyclohexyl]acetamide
SMILESCC(=O)NC1C(O)CC(CO[Si](C)(C)C(C)(C)C(C)C)C(C)C1C
InChIInChI=1S/C19H39NO3Si/c1-12(2)19(6,7)24(8,9)23-11-16-10-17(22)18(20-15(5)21)14(4)13(16)3/h12-14,16-18,22H,10-11H2,1-9H3,(H,20,21)
InChIKeyWWFBZBKMUALGAU-UHFFFAOYSA-N
XLogP3.80
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.61
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-6-hydroxy-2,3-dimethylcyclohexyl]acetamide?
The IUPAC name of N-[4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-6-hydroxy-2,3-dimethylcyclohexyl]acetamide (CID 165018992) is N-[4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-6-hydroxy-2,3-dimethylcyclohexyl]acetamide.
What is the SMILES notation for N-[4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-6-hydroxy-2,3-dimethylcyclohexyl]acetamide?
The canonical SMILES for N-[4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-6-hydroxy-2,3-dimethylcyclohexyl]acetamide is CC(=O)NC1C(O)CC(CO[Si](C)(C)C(C)(C)C(C)C)C(C)C1C.
What is the InChIKey of N-[4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-6-hydroxy-2,3-dimethylcyclohexyl]acetamide?
The InChIKey is WWFBZBKMUALGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO3Si/c1-12(2)19(6,7)24(8,9)23-11-16-10-17(22)18(20-15(5)21)14(4)13(16)3/h12-14,16-18,22H,10-11H2,1-9H3,(H,20,21).
What are the key properties of N-[4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-6-hydroxy-2,3-dimethylcyclohexyl]acetamide?
N-[4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-6-hydroxy-2,3-dimethylcyclohexyl]acetamide has a molecular weight of 357.61 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-6-hydroxy-2,3-dimethylcyclohexyl]acetamide is sourced from PubChem (CID 165018992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).