(E,5R)-5-cyclohexyl-1-methoxy-5-trimethylsilyloxypent-1-en-3-one

C15H28O3Si — CID 10902154

IUPAC(E,5R)-5-cyclohexyl-1-methoxy-5-trimethylsilyloxypent-1-en-3-one
SMILESCO/C=C/C(=O)C[C@@H](O[Si](C)(C)C)C1CCCCC1
InChIInChI=1S/C15H28O3Si/c1-17-11-10-14(16)12-15(18-19(2,3)4)13-8-6-5-7-9-13/h10-11,13,15H,5-9,12H2,1-4H3/b11-10+/t15-/m1/s1
InChIKeyMIJGDDJDURHVOC-AUECHBEKSA-N
MW284.47 g/mol
LogP3.91
Rot. Bonds7

About (E,5R)-5-cyclohexyl-1-methoxy-5-trimethylsilyloxypent-1-en-3-one

(E,5R)-5-cyclohexyl-1-methoxy-5-trimethylsilyloxypent-1-en-3-one (PubChem CID 10902154) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is (E,5R)-5-cyclohexyl-1-methoxy-5-trimethylsilyloxypent-1-en-3-one.

Molecular Properties

Compound Name(E,5R)-5-cyclohexyl-1-methoxy-5-trimethylsilyloxypent-1-en-3-one
PubChem CID10902154
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Name(E,5R)-5-cyclohexyl-1-methoxy-5-trimethylsilyloxypent-1-en-3-one
SMILESCO/C=C/C(=O)C[C@@H](O[Si](C)(C)C)C1CCCCC1
InChIInChI=1S/C15H28O3Si/c1-17-11-10-14(16)12-15(18-19(2,3)4)13-8-6-5-7-9-13/h10-11,13,15H,5-9,12H2,1-4H3/b11-10+/t15-/m1/s1
InChIKeyMIJGDDJDURHVOC-AUECHBEKSA-N
XLogP3.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-cyclohexyl-2,3-dihydropyran-4-one
CID 10219681
2-Cyclohexyl-2,3-dihydropyran-4-one
CID 11008530
(2S)-2-cyclohexyl-2,3-dihydropyran-4-one
CID 58886820
(3R)-3-methyl-2-pentyl-2,3-dihydropyran-4-one
CID 135080588
(5R, 6S)-6-methyl-5-((triethylsilyl)oxy)dec-1-en-3-one
CID 145865208
(5S, 6S)-6-methyl-5-((triethylsilyl)oxy)dec-1-en-3-one
CID 145865218
2-(2-Methylpentyl)-2,3-dihydropyran-4-one
CID 145476045
(E,5R)-1-methoxy-5-trimethylsilyloxytridec-1-en-3-one
CID 10245137
(E,5S)-5-cyclohexyl-1-methoxy-5-trimethylsilyloxypent-1-en-3-one
CID 10334096
(2S,3R)-2-cyclohexyl-3-methyl-2,3-dihydropyran-4-one
CID 10821644
(2S,3R)-2-cyclohexyl-5-ethenyl-3-methyl-2,3-dihydropyran-4-one
CID 11020417
(2R)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3,3-dimethyl-2H-pyran-4-one
CID 44220748

Frequently Asked Questions

What is the IUPAC name of (E,5R)-5-cyclohexyl-1-methoxy-5-trimethylsilyloxypent-1-en-3-one?
The IUPAC name of (E,5R)-5-cyclohexyl-1-methoxy-5-trimethylsilyloxypent-1-en-3-one (CID 10902154) is (E,5R)-5-cyclohexyl-1-methoxy-5-trimethylsilyloxypent-1-en-3-one.
What is the SMILES notation for (E,5R)-5-cyclohexyl-1-methoxy-5-trimethylsilyloxypent-1-en-3-one?
The canonical SMILES for (E,5R)-5-cyclohexyl-1-methoxy-5-trimethylsilyloxypent-1-en-3-one is CO/C=C/C(=O)C[C@@H](O[Si](C)(C)C)C1CCCCC1.
What is the InChIKey of (E,5R)-5-cyclohexyl-1-methoxy-5-trimethylsilyloxypent-1-en-3-one?
The InChIKey is MIJGDDJDURHVOC-AUECHBEKSA-N. The full InChI is InChI=1S/C15H28O3Si/c1-17-11-10-14(16)12-15(18-19(2,3)4)13-8-6-5-7-9-13/h10-11,13,15H,5-9,12H2,1-4H3/b11-10+/t15-/m1/s1.
What are the key properties of (E,5R)-5-cyclohexyl-1-methoxy-5-trimethylsilyloxypent-1-en-3-one?
(E,5R)-5-cyclohexyl-1-methoxy-5-trimethylsilyloxypent-1-en-3-one has a molecular weight of 284.47 g/mol, XLogP of 3.91, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5R)-5-cyclohexyl-1-methoxy-5-trimethylsilyloxypent-1-en-3-one is sourced from PubChem (CID 10902154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).