(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-3-[(E)-prop-1-enyl]cyclopent-2-en-1-one

C14H24O3Si — CID 11230976

IUPAC(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-3-[(E)-prop-1-enyl]cyclopent-2-en-1-one
SMILESC/C=C/C1=CC(=O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H24O3Si/c1-7-8-10-9-11(15)12(16)13(10)17-18(5,6)14(2,3)4/h7-9,12-13,16H,1-6H3/b8-7+/t12-,13-/m0/s1
InChIKeyBJCNQFUNAVUYGG-FVWNJDPFSA-N
MW268.43 g/mol
LogP2.82
Rot. Bonds3

About (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-3-[(E)-prop-1-enyl]cyclopent-2-en-1-one

(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-3-[(E)-prop-1-enyl]cyclopent-2-en-1-one (PubChem CID 11230976) has the molecular formula C14H24O3Si and a molecular weight of 268.43 g/mol. Its IUPAC name is (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-3-[(E)-prop-1-enyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-3-[(E)-prop-1-enyl]cyclopent-2-en-1-one
PubChem CID11230976
Molecular FormulaC14H24O3Si
Molecular Weight268.43 g/mol
Exact Mass268.15
IUPAC Name(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-3-[(E)-prop-1-enyl]cyclopent-2-en-1-one
SMILESC/C=C/C1=CC(=O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H24O3Si/c1-7-8-10-9-11(15)12(16)13(10)17-18(5,6)14(2,3)4/h7-9,12-13,16H,1-6H3/b8-7+/t12-,13-/m0/s1
InChIKeyBJCNQFUNAVUYGG-FVWNJDPFSA-N
XLogP2.82
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-3-[(E)-prop-1-enyl]cyclopent-2-en-1-one?
The IUPAC name of (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-3-[(E)-prop-1-enyl]cyclopent-2-en-1-one (CID 11230976) is (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-3-[(E)-prop-1-enyl]cyclopent-2-en-1-one.
What is the SMILES notation for (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-3-[(E)-prop-1-enyl]cyclopent-2-en-1-one?
The canonical SMILES for (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-3-[(E)-prop-1-enyl]cyclopent-2-en-1-one is C/C=C/C1=CC(=O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-3-[(E)-prop-1-enyl]cyclopent-2-en-1-one?
The InChIKey is BJCNQFUNAVUYGG-FVWNJDPFSA-N. The full InChI is InChI=1S/C14H24O3Si/c1-7-8-10-9-11(15)12(16)13(10)17-18(5,6)14(2,3)4/h7-9,12-13,16H,1-6H3/b8-7+/t12-,13-/m0/s1.
What are the key properties of (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-3-[(E)-prop-1-enyl]cyclopent-2-en-1-one?
(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-3-[(E)-prop-1-enyl]cyclopent-2-en-1-one has a molecular weight of 268.43 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-3-[(E)-prop-1-enyl]cyclopent-2-en-1-one is sourced from PubChem (CID 11230976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).