(4S)-4-methyl-1-trimethylsilylhex-1-yn-3-one

C10H18OSi — CID 13202853

IUPAC(4S)-4-methyl-1-trimethylsilylhex-1-yn-3-one
SMILESCC[C@H](C)C(=O)C#C[Si](C)(C)C
InChIInChI=1S/C10H18OSi/c1-6-9(2)10(11)7-8-12(3,4)5/h9H,6H2,1-5H3/t9-/m0/s1
InChIKeyQKBZSGYDDBXVJV-VIFPVBQESA-N
MW182.34 g/mol
LogP2.48
Rot. Bonds2

About (4S)-4-methyl-1-trimethylsilylhex-1-yn-3-one

(4S)-4-methyl-1-trimethylsilylhex-1-yn-3-one (PubChem CID 13202853) has the molecular formula C10H18OSi and a molecular weight of 182.34 g/mol. Its IUPAC name is (4S)-4-methyl-1-trimethylsilylhex-1-yn-3-one.

Molecular Properties

Compound Name(4S)-4-methyl-1-trimethylsilylhex-1-yn-3-one
PubChem CID13202853
Molecular FormulaC10H18OSi
Molecular Weight182.34 g/mol
Exact Mass182.11
IUPAC Name(4S)-4-methyl-1-trimethylsilylhex-1-yn-3-one
SMILESCC[C@H](C)C(=O)C#C[Si](C)(C)C
InChIInChI=1S/C10H18OSi/c1-6-9(2)10(11)7-8-12(3,4)5/h9H,6H2,1-5H3/t9-/m0/s1
InChIKeyQKBZSGYDDBXVJV-VIFPVBQESA-N
XLogP2.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.34
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

4-methyl-1-phenylhex-1-yn-3-one
CID 130137135
(3R)-4-methyl-1-trimethylsilylpent-1-yn-3-ol;4-methyl-1-trimethylsilylpent-1-yn-3-one
CID 159188451
(3R)-9-chloro-3-methylnon-5-yn-4-one
CID 14065925
3-trimethylsilylprop-2-ynoic acid
CID 2760863
3-trimethylsilyl(113C)prop-2-ynoic acid
CID 101015647
1-trimethylsilylundec-1-yn-3-one
CID 14798469
2-methyl-5-trimethylsilylpent-4-ynoic acid
CID 102228777
[(E)-3,4-diethyl-6-trimethylsilylhex-3-en-1,5-diynyl]-trimethylsilane
CID 100967822
trimethyl-[(E)-4-methyl-3-propan-2-ylhex-3-en-1-ynyl]silane
CID 134993956
calcium 3-methyl-2-oxopentanoic acid
CID 42613103
3-methylidene-5-trimethylsilylpent-4-ynoic acid
CID 11074045
4,4-dimethyl-1-trimethylsilylpent-1-yn-3-one
CID 12529654

Frequently Asked Questions

What is the IUPAC name of (4S)-4-methyl-1-trimethylsilylhex-1-yn-3-one?
The IUPAC name of (4S)-4-methyl-1-trimethylsilylhex-1-yn-3-one (CID 13202853) is (4S)-4-methyl-1-trimethylsilylhex-1-yn-3-one.
What is the SMILES notation for (4S)-4-methyl-1-trimethylsilylhex-1-yn-3-one?
The canonical SMILES for (4S)-4-methyl-1-trimethylsilylhex-1-yn-3-one is CC[C@H](C)C(=O)C#C[Si](C)(C)C.
What is the InChIKey of (4S)-4-methyl-1-trimethylsilylhex-1-yn-3-one?
The InChIKey is QKBZSGYDDBXVJV-VIFPVBQESA-N. The full InChI is InChI=1S/C10H18OSi/c1-6-9(2)10(11)7-8-12(3,4)5/h9H,6H2,1-5H3/t9-/m0/s1.
What are the key properties of (4S)-4-methyl-1-trimethylsilylhex-1-yn-3-one?
(4S)-4-methyl-1-trimethylsilylhex-1-yn-3-one has a molecular weight of 182.34 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methyl-1-trimethylsilylhex-1-yn-3-one is sourced from PubChem (CID 13202853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).