trans-(2S,3R)-3-hydroxy-2-pent-4-enyl-2-(2-trimethylsilylethynyl)cyclopentan-1-one

C15H24O2Si — CID 53382000

IUPACtrans-(2S,3R)-3-hydroxy-2-pent-4-enyl-2-(2-trimethylsilylethynyl)cyclopentan-1-one
SMILESC=CCCC[C@@]1(C#C[Si](C)(C)C)C(=O)CC[C@H]1O
InChIInChI=1S/C15H24O2Si/c1-5-6-7-10-15(11-12-18(2,3)4)13(16)8-9-14(15)17/h5,13,16H,1,6-10H2,2-4H3/t13-,15+/m1/s1
InChIKeyKIGWRXVGGAMZLK-HIFRSBDPSA-N
MW264.44 g/mol
LogP2.93
Rot. Bonds4

About trans-(2S,3R)-3-hydroxy-2-pent-4-enyl-2-(2-trimethylsilylethynyl)cyclopentan-1-one

trans-(2S,3R)-3-hydroxy-2-pent-4-enyl-2-(2-trimethylsilylethynyl)cyclopentan-1-one (PubChem CID 53382000) has the molecular formula C15H24O2Si and a molecular weight of 264.44 g/mol. Its IUPAC name is trans-(2S,3R)-3-hydroxy-2-pent-4-enyl-2-(2-trimethylsilylethynyl)cyclopentan-1-one.

Molecular Properties

Compound Nametrans-(2S,3R)-3-hydroxy-2-pent-4-enyl-2-(2-trimethylsilylethynyl)cyclopentan-1-one
PubChem CID53382000
Molecular FormulaC15H24O2Si
Molecular Weight264.44 g/mol
Exact Mass264.15
IUPAC Nametrans-(2S,3R)-3-hydroxy-2-pent-4-enyl-2-(2-trimethylsilylethynyl)cyclopentan-1-one
SMILESC=CCCC[C@@]1(C#C[Si](C)(C)C)C(=O)CC[C@H]1O
InChIInChI=1S/C15H24O2Si/c1-5-6-7-10-15(11-12-18(2,3)4)13(16)8-9-14(15)17/h5,13,16H,1,6-10H2,2-4H3/t13-,15+/m1/s1
InChIKeyKIGWRXVGGAMZLK-HIFRSBDPSA-N
XLogP2.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-but-3-enyl-3-hydroxy-2-methylcyclopentan-1-one
CID 85299271
cis-(2R,3R)-2-but-3-enyl-2-methyl-3-propan-2-ylcyclopentan-1-one
CID 11424115
1-pent-4-enyl-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 79429426
2-cyclopropyl-3-pent-4-enyloxolane-3-carboxylic acid
CID 104509214
2-hydroxy-6,6-bis(pent-4-enyl)-2H-pyran-5-one
CID 101465605
(1R,5R)-5-hex-5-enylbicyclo[3.2.0]heptan-6-one
CID 11321466
trans-(2R,3S)-3-hydroxy-2-methyl-2-prop-2-enylcyclohexan-1-one
CID 11229012
trans-(2S,3R)-3-hydroxy-2-methyl-2-prop-2-enylcyclohexan-1-one
CID 10725788
(3S)-1-trimethylsilyloct-7-en-1-yn-3-ol
CID 102063168
cis-(2R,3R)-3-[(2R)-1-hydroxyhex-5-en-2-yl]-2-methyl-2-prop-2-enylcyclopentan-1-one
CID 53381704
6-but-3-enyl-2-hydroxy-6-pent-4-enyl-2H-pyran-5-one
CID 101465604
methane;(2R,3R,4S)-2,3,4-trihydroxy-2-[(Z)-non-4-en-8-ynyl]cyclohexan-1-one
CID 159923571

Frequently Asked Questions

What is the IUPAC name of trans-(2S,3R)-3-hydroxy-2-pent-4-enyl-2-(2-trimethylsilylethynyl)cyclopentan-1-one?
The IUPAC name of trans-(2S,3R)-3-hydroxy-2-pent-4-enyl-2-(2-trimethylsilylethynyl)cyclopentan-1-one (CID 53382000) is trans-(2S,3R)-3-hydroxy-2-pent-4-enyl-2-(2-trimethylsilylethynyl)cyclopentan-1-one.
What is the SMILES notation for trans-(2S,3R)-3-hydroxy-2-pent-4-enyl-2-(2-trimethylsilylethynyl)cyclopentan-1-one?
The canonical SMILES for trans-(2S,3R)-3-hydroxy-2-pent-4-enyl-2-(2-trimethylsilylethynyl)cyclopentan-1-one is C=CCCC[C@@]1(C#C[Si](C)(C)C)C(=O)CC[C@H]1O.
What is the InChIKey of trans-(2S,3R)-3-hydroxy-2-pent-4-enyl-2-(2-trimethylsilylethynyl)cyclopentan-1-one?
The InChIKey is KIGWRXVGGAMZLK-HIFRSBDPSA-N. The full InChI is InChI=1S/C15H24O2Si/c1-5-6-7-10-15(11-12-18(2,3)4)13(16)8-9-14(15)17/h5,13,16H,1,6-10H2,2-4H3/t13-,15+/m1/s1.
What are the key properties of trans-(2S,3R)-3-hydroxy-2-pent-4-enyl-2-(2-trimethylsilylethynyl)cyclopentan-1-one?
trans-(2S,3R)-3-hydroxy-2-pent-4-enyl-2-(2-trimethylsilylethynyl)cyclopentan-1-one has a molecular weight of 264.44 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2S,3R)-3-hydroxy-2-pent-4-enyl-2-(2-trimethylsilylethynyl)cyclopentan-1-one is sourced from PubChem (CID 53382000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).