2-[(E,2R,3R)-1-hydroxy-2-propan-2-yl-3-triethylsilyloxyhex-4-enyl]cyclopentan-1-one

C20H38O3Si — CID 44516075

IUPAC2-[(E,2R,3R)-1-hydroxy-2-propan-2-yl-3-triethylsilyloxyhex-4-enyl]cyclopentan-1-one
SMILESC/C=C/[C@@H](O[Si](CC)(CC)CC)[C@H](C(C)C)C(O)C1CCCC1=O
InChIInChI=1S/C20H38O3Si/c1-7-12-18(23-24(8-2,9-3)10-4)19(15(5)6)20(22)16-13-11-14-17(16)21/h7,12,15-16,18-20,22H,8-11,13-14H2,1-6H3/b12-7+/t16?,18-,19+,20?/m1/s1
InChIKeyWPIBOVQBAAFJQU-SHWOQEMCSA-N
MW354.61 g/mol
LogP4.96
Rot. Bonds10

About 2-[(E,2R,3R)-1-hydroxy-2-propan-2-yl-3-triethylsilyloxyhex-4-enyl]cyclopentan-1-one

2-[(E,2R,3R)-1-hydroxy-2-propan-2-yl-3-triethylsilyloxyhex-4-enyl]cyclopentan-1-one (PubChem CID 44516075) has the molecular formula C20H38O3Si and a molecular weight of 354.61 g/mol. Its IUPAC name is 2-[(E,2R,3R)-1-hydroxy-2-propan-2-yl-3-triethylsilyloxyhex-4-enyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[(E,2R,3R)-1-hydroxy-2-propan-2-yl-3-triethylsilyloxyhex-4-enyl]cyclopentan-1-one
PubChem CID44516075
Molecular FormulaC20H38O3Si
Molecular Weight354.61 g/mol
Exact Mass354.26
IUPAC Name2-[(E,2R,3R)-1-hydroxy-2-propan-2-yl-3-triethylsilyloxyhex-4-enyl]cyclopentan-1-one
SMILESC/C=C/[C@@H](O[Si](CC)(CC)CC)[C@H](C(C)C)C(O)C1CCCC1=O
InChIInChI=1S/C20H38O3Si/c1-7-12-18(23-24(8-2,9-3)10-4)19(15(5)6)20(22)16-13-11-14-17(16)21/h7,12,15-16,18-20,22H,8-11,13-14H2,1-6H3/b12-7+/t16?,18-,19+,20?/m1/s1
InChIKeyWPIBOVQBAAFJQU-SHWOQEMCSA-N
XLogP4.96
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.61
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(E,2R,3R)-1-hydroxy-2-propan-2-yl-3-triethylsilyloxyhex-4-enyl]cyclopentan-1-one with MolForge

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Launch Full Analysis

Related Compounds

2-(Cyclohexyl(hydroxy)methyl)-3-(4-((triisopropylsilyl)oxy)-1-butenyl)cyclopentanone
CID 5469502
2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoyl]cyclopentan-1-one
CID 11529682
(2R,4S,8E,10E)-7-hydroxy-2,4-dimethyl-1-triethylsilyloxydodeca-8,10-dien-5-one
CID 11703131
cis-(2R,3R)-3-but-3-enyl-2-[(1R,3S)-1-hydroxy-3-methyl-5-triethylsilyloxyhept-6-enyl]-3-methylcyclopentan-1-one
CID 25112424
(3aR,4R,6S,9E,12aR)-4-hydroxy-6,12a-dimethyl-8-triethylsilyloxy-1,2,3a,4,5,6,7,8,11,12-decahydrocyclopenta[11]annulen-3-one
CID 25112425
2-[(E,2S,3R)-2-propan-2-yl-3-triethylsilyloxyhex-4-enoyl]cyclopentan-1-one
CID 44516375
cis-(2S,3S)-2-[(1S,2R)-1-hydroxy-2-propan-2-ylpent-4-enyl]-3-(3-trimethylsilylprop-1-en-2-yl)cyclopentan-1-one
CID 102523294
(2R,3R,4R)-3-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-4-hydroxy-2-(7-hydroxyheptyl)cyclopentan-1-one
CID 134870748
(E,3R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methyldec-8-en-5-one
CID 134904239
(4S,5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4,8-dimethyl-6-methylidenenonan-3-one
CID 134904240
(4R,5R,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4,8-dimethyl-6-methylidenenonan-3-one
CID 134904560
7-[(1R,2R,3R)-2-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-3-hydroxy-5-oxocyclopentyl]heptanoic acid
CID 134917134

Frequently Asked Questions

What is the IUPAC name of 2-[(E,2R,3R)-1-hydroxy-2-propan-2-yl-3-triethylsilyloxyhex-4-enyl]cyclopentan-1-one?
The IUPAC name of 2-[(E,2R,3R)-1-hydroxy-2-propan-2-yl-3-triethylsilyloxyhex-4-enyl]cyclopentan-1-one (CID 44516075) is 2-[(E,2R,3R)-1-hydroxy-2-propan-2-yl-3-triethylsilyloxyhex-4-enyl]cyclopentan-1-one.
What is the SMILES notation for 2-[(E,2R,3R)-1-hydroxy-2-propan-2-yl-3-triethylsilyloxyhex-4-enyl]cyclopentan-1-one?
The canonical SMILES for 2-[(E,2R,3R)-1-hydroxy-2-propan-2-yl-3-triethylsilyloxyhex-4-enyl]cyclopentan-1-one is C/C=C/[C@@H](O[Si](CC)(CC)CC)[C@H](C(C)C)C(O)C1CCCC1=O.
What is the InChIKey of 2-[(E,2R,3R)-1-hydroxy-2-propan-2-yl-3-triethylsilyloxyhex-4-enyl]cyclopentan-1-one?
The InChIKey is WPIBOVQBAAFJQU-SHWOQEMCSA-N. The full InChI is InChI=1S/C20H38O3Si/c1-7-12-18(23-24(8-2,9-3)10-4)19(15(5)6)20(22)16-13-11-14-17(16)21/h7,12,15-16,18-20,22H,8-11,13-14H2,1-6H3/b12-7+/t16?,18-,19+,20?/m1/s1.
What are the key properties of 2-[(E,2R,3R)-1-hydroxy-2-propan-2-yl-3-triethylsilyloxyhex-4-enyl]cyclopentan-1-one?
2-[(E,2R,3R)-1-hydroxy-2-propan-2-yl-3-triethylsilyloxyhex-4-enyl]cyclopentan-1-one has a molecular weight of 354.61 g/mol, XLogP of 4.96, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E,2R,3R)-1-hydroxy-2-propan-2-yl-3-triethylsilyloxyhex-4-enyl]cyclopentan-1-one is sourced from PubChem (CID 44516075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).