(4R)-4-amino-6-trimethylsilylhex-5-yn-2-one

C9H17NOSi — CID 59952392

IUPAC(4R)-4-amino-6-trimethylsilylhex-5-yn-2-one
SMILESCC(=O)C[C@@H](N)C#C[Si](C)(C)C
InChIInChI=1S/C9H17NOSi/c1-8(11)7-9(10)5-6-12(2,3)4/h9H,7,10H2,1-4H3/t9-/m0/s1
InChIKeyUCQZVKGAFQGDOE-VIFPVBQESA-N
MW183.33 g/mol
LogP1.17
Rot. Bonds2

About (4R)-4-amino-6-trimethylsilylhex-5-yn-2-one

(4R)-4-amino-6-trimethylsilylhex-5-yn-2-one (PubChem CID 59952392) has the molecular formula C9H17NOSi and a molecular weight of 183.33 g/mol. Its IUPAC name is (4R)-4-amino-6-trimethylsilylhex-5-yn-2-one.

Molecular Properties

Compound Name(4R)-4-amino-6-trimethylsilylhex-5-yn-2-one
PubChem CID59952392
Molecular FormulaC9H17NOSi
Molecular Weight183.33 g/mol
Exact Mass183.11
IUPAC Name(4R)-4-amino-6-trimethylsilylhex-5-yn-2-one
SMILESCC(=O)C[C@@H](N)C#C[Si](C)(C)C
InChIInChI=1S/C9H17NOSi/c1-8(11)7-9(10)5-6-12(2,3)4/h9H,7,10H2,1-4H3/t9-/m0/s1
InChIKeyUCQZVKGAFQGDOE-VIFPVBQESA-N
XLogP1.17
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.33
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-amino-5-trimethylsilylpent-4-ynoate
CID 18784307
methyl (3S)-3-propan-2-yl-5-trimethylsilylpent-4-ynoate
CID 10868013
5-trimethylsilylpent-4-yn-2-one
CID 12685334
4-amino-5-methoxyhex-5-en-2-one
CID 123447275
3-amino-4-hydroxypentan-2-one;4-hydroxypentan-2-one
CID 159964443
4-aminooctane-2,7-dione
CID 89306348
(2S)-2-amino-4-oxopentanoic acid;benzene
CID 143542202
4-methyl-5-(methylamino)pentan-2-one
CID 20632141
(5S)-5-amino-2,7-dioxooctanamide
CID 135189804
ethyl 1-trimethylsilylhept-1-yn-3-yl carbonate
CID 10988906
6-hydroxy-8-trimethylsilyloct-7-ynoic acid
CID 174052538
ethyl (2E,6E)-9-hydroxy-4,4,7-trimethyl-11-trimethylsilylundeca-2,6-dien-10-ynoate
CID 11209905

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-6-trimethylsilylhex-5-yn-2-one?
The IUPAC name of (4R)-4-amino-6-trimethylsilylhex-5-yn-2-one (CID 59952392) is (4R)-4-amino-6-trimethylsilylhex-5-yn-2-one.
What is the SMILES notation for (4R)-4-amino-6-trimethylsilylhex-5-yn-2-one?
The canonical SMILES for (4R)-4-amino-6-trimethylsilylhex-5-yn-2-one is CC(=O)C[C@@H](N)C#C[Si](C)(C)C.
What is the InChIKey of (4R)-4-amino-6-trimethylsilylhex-5-yn-2-one?
The InChIKey is UCQZVKGAFQGDOE-VIFPVBQESA-N. The full InChI is InChI=1S/C9H17NOSi/c1-8(11)7-9(10)5-6-12(2,3)4/h9H,7,10H2,1-4H3/t9-/m0/s1.
What are the key properties of (4R)-4-amino-6-trimethylsilylhex-5-yn-2-one?
(4R)-4-amino-6-trimethylsilylhex-5-yn-2-one has a molecular weight of 183.33 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-6-trimethylsilylhex-5-yn-2-one is sourced from PubChem (CID 59952392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).