(4S,5R)-5-hydroxy-4-(2-trimethylsilylethoxy)cyclopent-2-en-1-one

C10H18O3Si — CID 14434984

IUPAC(4S,5R)-5-hydroxy-4-(2-trimethylsilylethoxy)cyclopent-2-en-1-one
SMILESC[Si](C)(C)CCO[C@H]1C=CC(=O)[C@@H]1O
InChIInChI=1S/C10H18O3Si/c1-14(2,3)7-6-13-9-5-4-8(11)10(9)12/h4-5,9-10,12H,6-7H2,1-3H3/t9-,10-/m0/s1
InChIKeyFIBPYKPQJARQJL-UWVGGRQHSA-N
MW214.34 g/mol
LogP1.21
Rot. Bonds4

About (4S,5R)-5-hydroxy-4-(2-trimethylsilylethoxy)cyclopent-2-en-1-one

(4S,5R)-5-hydroxy-4-(2-trimethylsilylethoxy)cyclopent-2-en-1-one (PubChem CID 14434984) has the molecular formula C10H18O3Si and a molecular weight of 214.34 g/mol. Its IUPAC name is (4S,5R)-5-hydroxy-4-(2-trimethylsilylethoxy)cyclopent-2-en-1-one.

Molecular Properties

Compound Name(4S,5R)-5-hydroxy-4-(2-trimethylsilylethoxy)cyclopent-2-en-1-one
PubChem CID14434984
Molecular FormulaC10H18O3Si
Molecular Weight214.34 g/mol
Exact Mass214.10
IUPAC Name(4S,5R)-5-hydroxy-4-(2-trimethylsilylethoxy)cyclopent-2-en-1-one
SMILESC[Si](C)(C)CCO[C@H]1C=CC(=O)[C@@H]1O
InChIInChI=1S/C10H18O3Si/c1-14(2,3)7-6-13-9-5-4-8(11)10(9)12/h4-5,9-10,12H,6-7H2,1-3H3/t9-,10-/m0/s1
InChIKeyFIBPYKPQJARQJL-UWVGGRQHSA-N
XLogP1.21
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.34
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4S,5R)-4-tert-butoxy-5-hydroxy-2-cyclopenten-1-one
CID 14434987
(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxycyclopent-2-en-1-one
CID 10977248
(4S,5R)-5-hydroxy-4-methoxycyclopent-2-en-1-one
CID 14434981
(4S,5R)-5-hydroxy-3-[(E)-prop-1-enyl]-4-(2-trimethylsilylethoxy)cyclopent-2-en-1-one
CID 21681395
5-Hydroxy-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-one
CID 4275358
5-[Tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-one
CID 72751406
(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxycyclopent-2-en-1-one
CID 88901573
2-ethyl-3-hydroxy-3,7-dihydro-2H-oxepin-4-one
CID 174640599
trans-4-T-Butoxy-5-hydroxy-2-cyclopenten-1-one
CID 11105797
(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-one
CID 11208376
(4R,5S)-5-hydroxy-5-methyl-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-one
CID 11469478
5-Hydroxy-4-methoxycyclopent-2-en-1-one
CID 14434980

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-hydroxy-4-(2-trimethylsilylethoxy)cyclopent-2-en-1-one?
The IUPAC name of (4S,5R)-5-hydroxy-4-(2-trimethylsilylethoxy)cyclopent-2-en-1-one (CID 14434984) is (4S,5R)-5-hydroxy-4-(2-trimethylsilylethoxy)cyclopent-2-en-1-one.
What is the SMILES notation for (4S,5R)-5-hydroxy-4-(2-trimethylsilylethoxy)cyclopent-2-en-1-one?
The canonical SMILES for (4S,5R)-5-hydroxy-4-(2-trimethylsilylethoxy)cyclopent-2-en-1-one is C[Si](C)(C)CCO[C@H]1C=CC(=O)[C@@H]1O.
What is the InChIKey of (4S,5R)-5-hydroxy-4-(2-trimethylsilylethoxy)cyclopent-2-en-1-one?
The InChIKey is FIBPYKPQJARQJL-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H18O3Si/c1-14(2,3)7-6-13-9-5-4-8(11)10(9)12/h4-5,9-10,12H,6-7H2,1-3H3/t9-,10-/m0/s1.
What are the key properties of (4S,5R)-5-hydroxy-4-(2-trimethylsilylethoxy)cyclopent-2-en-1-one?
(4S,5R)-5-hydroxy-4-(2-trimethylsilylethoxy)cyclopent-2-en-1-one has a molecular weight of 214.34 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-hydroxy-4-(2-trimethylsilylethoxy)cyclopent-2-en-1-one is sourced from PubChem (CID 14434984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).