(4S)-4-silyloxycyclopent-2-en-1-one

C5H8O2Si — CID 123269034

IUPAC(4S)-4-silyloxycyclopent-2-en-1-one
SMILESO=C1C=C[C@@H](O[SiH3])C1
InChIInChI=1S/C5H8O2Si/c6-4-1-2-5(3-4)7-8/h1-2,5H,3H2,8H3/t5-/m1/s1
InChIKeyHSYSCPBUWMIKMI-RXMQYKEDSA-N
MW128.20 g/mol
LogP-0.82
Rot. Bonds1

About (4S)-4-silyloxycyclopent-2-en-1-one

(4S)-4-silyloxycyclopent-2-en-1-one (PubChem CID 123269034) has the molecular formula C5H8O2Si and a molecular weight of 128.20 g/mol. Its IUPAC name is (4S)-4-silyloxycyclopent-2-en-1-one.

Molecular Properties

Compound Name(4S)-4-silyloxycyclopent-2-en-1-one
PubChem CID123269034
Molecular FormulaC5H8O2Si
Molecular Weight128.20 g/mol
Exact Mass128.03
IUPAC Name(4S)-4-silyloxycyclopent-2-en-1-one
SMILESO=C1C=C[C@@H](O[SiH3])C1
InChIInChI=1S/C5H8O2Si/c6-4-1-2-5(3-4)7-8/h1-2,5H,3H2,8H3/t5-/m1/s1
InChIKeyHSYSCPBUWMIKMI-RXMQYKEDSA-N
XLogP-0.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.20
LogP ≤ 5-0.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-4-silyloxycyclopent-2-en-1-one?
The IUPAC name of (4S)-4-silyloxycyclopent-2-en-1-one (CID 123269034) is (4S)-4-silyloxycyclopent-2-en-1-one.
What is the SMILES notation for (4S)-4-silyloxycyclopent-2-en-1-one?
The canonical SMILES for (4S)-4-silyloxycyclopent-2-en-1-one is O=C1C=C[C@@H](O[SiH3])C1.
What is the InChIKey of (4S)-4-silyloxycyclopent-2-en-1-one?
The InChIKey is HSYSCPBUWMIKMI-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H8O2Si/c6-4-1-2-5(3-4)7-8/h1-2,5H,3H2,8H3/t5-/m1/s1.
What are the key properties of (4S)-4-silyloxycyclopent-2-en-1-one?
(4S)-4-silyloxycyclopent-2-en-1-one has a molecular weight of 128.20 g/mol, XLogP of -0.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-silyloxycyclopent-2-en-1-one is sourced from PubChem (CID 123269034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).