(4S,5R)-2-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxycyclopent-2-en-1-one

C11H20O4Si — CID 10586416

IUPAC(4S,5R)-2-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxycyclopent-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)OC1=C[C@H](O)[C@@H](O)C1=O
InChIInChI=1S/C11H20O4Si/c1-11(2,3)16(4,5)15-8-6-7(12)9(13)10(8)14/h6-7,9,12-13H,1-5H3/t7-,9+/m0/s1
InChIKeyHRBRDCKOYZJWRV-IONNQARKSA-N
MW244.36 g/mol
LogP1.20
Rot. Bonds2

About (4S,5R)-2-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxycyclopent-2-en-1-one

(4S,5R)-2-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxycyclopent-2-en-1-one (PubChem CID 10586416) has the molecular formula C11H20O4Si and a molecular weight of 244.36 g/mol. Its IUPAC name is (4S,5R)-2-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxycyclopent-2-en-1-one.

Molecular Properties

Compound Name(4S,5R)-2-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxycyclopent-2-en-1-one
PubChem CID10586416
Molecular FormulaC11H20O4Si
Molecular Weight244.36 g/mol
Exact Mass244.11
IUPAC Name(4S,5R)-2-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxycyclopent-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)OC1=C[C@H](O)[C@@H](O)C1=O
InChIInChI=1S/C11H20O4Si/c1-11(2,3)16(4,5)15-8-6-7(12)9(13)10(8)14/h6-7,9,12-13H,1-5H3/t7-,9+/m0/s1
InChIKeyHRBRDCKOYZJWRV-IONNQARKSA-N
XLogP1.20
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxycyclopent-2-en-1-one
CID 10977248
(3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-oxabicyclo[3.1.0]hex-1(5)-en-2-one
CID 60036596
(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxycyclopent-2-en-1-one
CID 88901573
(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-oxabicyclo[3.1.0]hex-1(5)-en-2-one
CID 91867946
(4S,5S)-4,5-dihydroxy-5-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-one
CID 11308181
(4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxycyclopent-2-en-1-one
CID 101115187

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-2-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxycyclopent-2-en-1-one?
The IUPAC name of (4S,5R)-2-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxycyclopent-2-en-1-one (CID 10586416) is (4S,5R)-2-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxycyclopent-2-en-1-one.
What is the SMILES notation for (4S,5R)-2-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxycyclopent-2-en-1-one?
The canonical SMILES for (4S,5R)-2-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxycyclopent-2-en-1-one is CC(C)(C)[Si](C)(C)OC1=C[C@H](O)[C@@H](O)C1=O.
What is the InChIKey of (4S,5R)-2-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxycyclopent-2-en-1-one?
The InChIKey is HRBRDCKOYZJWRV-IONNQARKSA-N. The full InChI is InChI=1S/C11H20O4Si/c1-11(2,3)16(4,5)15-8-6-7(12)9(13)10(8)14/h6-7,9,12-13H,1-5H3/t7-,9+/m0/s1.
What are the key properties of (4S,5R)-2-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxycyclopent-2-en-1-one?
(4S,5R)-2-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxycyclopent-2-en-1-one has a molecular weight of 244.36 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-2-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxycyclopent-2-en-1-one is sourced from PubChem (CID 10586416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).