(5S)-5-(3-bromo-3-trimethylsilylpropa-1,2-dienyl)oxolan-2-one

C10H15BrO2Si — CID 102481237

IUPAC(5S)-5-(3-bromo-3-trimethylsilylpropa-1,2-dienyl)oxolan-2-one
SMILESC[Si](C)(C)C(Br)=C=C[C@@H]1CCC(=O)O1
InChIInChI=1S/C10H15BrO2Si/c1-14(2,3)9(11)6-4-8-5-7-10(12)13-8/h4,8H,5,7H2,1-3H3/t6?,8-/m1/s1
InChIKeyDFIDIMPPXCPGNZ-QFSRMBNQSA-N
MW275.22 g/mol
LogP3.00
Rot. Bonds2

About (5S)-5-(3-bromo-3-trimethylsilylpropa-1,2-dienyl)oxolan-2-one

(5S)-5-(3-bromo-3-trimethylsilylpropa-1,2-dienyl)oxolan-2-one (PubChem CID 102481237) has the molecular formula C10H15BrO2Si and a molecular weight of 275.22 g/mol. Its IUPAC name is (5S)-5-(3-bromo-3-trimethylsilylpropa-1,2-dienyl)oxolan-2-one.

Molecular Properties

Compound Name(5S)-5-(3-bromo-3-trimethylsilylpropa-1,2-dienyl)oxolan-2-one
PubChem CID102481237
Molecular FormulaC10H15BrO2Si
Molecular Weight275.22 g/mol
Exact Mass274.00
IUPAC Name(5S)-5-(3-bromo-3-trimethylsilylpropa-1,2-dienyl)oxolan-2-one
SMILESC[Si](C)(C)C(Br)=C=C[C@@H]1CCC(=O)O1
InChIInChI=1S/C10H15BrO2Si/c1-14(2,3)9(11)6-4-8-5-7-10(12)13-8/h4,8H,5,7H2,1-3H3/t6?,8-/m1/s1
InChIKeyDFIDIMPPXCPGNZ-QFSRMBNQSA-N
XLogP3.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.22
LogP ≤ 53.00
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 (5S)-5-(3-bromo-3-trimethylsilylpropa-1,2-dienyl)oxolan-2-one?
The IUPAC name of (5S)-5-(3-bromo-3-trimethylsilylpropa-1,2-dienyl)oxolan-2-one (CID 102481237) is (5S)-5-(3-bromo-3-trimethylsilylpropa-1,2-dienyl)oxolan-2-one.
What is the SMILES notation for (5S)-5-(3-bromo-3-trimethylsilylpropa-1,2-dienyl)oxolan-2-one?
The canonical SMILES for (5S)-5-(3-bromo-3-trimethylsilylpropa-1,2-dienyl)oxolan-2-one is C[Si](C)(C)C(Br)=C=C[C@@H]1CCC(=O)O1.
What is the InChIKey of (5S)-5-(3-bromo-3-trimethylsilylpropa-1,2-dienyl)oxolan-2-one?
The InChIKey is DFIDIMPPXCPGNZ-QFSRMBNQSA-N. The full InChI is InChI=1S/C10H15BrO2Si/c1-14(2,3)9(11)6-4-8-5-7-10(12)13-8/h4,8H,5,7H2,1-3H3/t6?,8-/m1/s1.
What are the key properties of (5S)-5-(3-bromo-3-trimethylsilylpropa-1,2-dienyl)oxolan-2-one?
(5S)-5-(3-bromo-3-trimethylsilylpropa-1,2-dienyl)oxolan-2-one has a molecular weight of 275.22 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(3-bromo-3-trimethylsilylpropa-1,2-dienyl)oxolan-2-one is sourced from PubChem (CID 102481237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).