(4R,5S)-4-fluoro-5-[tri(propan-2-yl)silylmethyl]oxolan-2-one

C14H27FO2Si — CID 24753142

IUPAC(4R,5S)-4-fluoro-5-[tri(propan-2-yl)silylmethyl]oxolan-2-one
SMILESCC(C)[Si](C[C@H]1OC(=O)C[C@H]1F)(C(C)C)C(C)C
InChIInChI=1S/C14H27FO2Si/c1-9(2)18(10(3)4,11(5)6)8-13-12(15)7-14(16)17-13/h9-13H,7-8H2,1-6H3/t12-,13-/m1/s1
InChIKeyDKGHKGKRDABJMP-CHWSQXEVSA-N
MW274.45 g/mol
LogP4.32
Rot. Bonds5

About (4R,5S)-4-fluoro-5-[tri(propan-2-yl)silylmethyl]oxolan-2-one

(4R,5S)-4-fluoro-5-[tri(propan-2-yl)silylmethyl]oxolan-2-one (PubChem CID 24753142) has the molecular formula C14H27FO2Si and a molecular weight of 274.45 g/mol. Its IUPAC name is (4R,5S)-4-fluoro-5-[tri(propan-2-yl)silylmethyl]oxolan-2-one.

Molecular Properties

Compound Name(4R,5S)-4-fluoro-5-[tri(propan-2-yl)silylmethyl]oxolan-2-one
PubChem CID24753142
Molecular FormulaC14H27FO2Si
Molecular Weight274.45 g/mol
Exact Mass274.18
IUPAC Name(4R,5S)-4-fluoro-5-[tri(propan-2-yl)silylmethyl]oxolan-2-one
SMILESCC(C)[Si](C[C@H]1OC(=O)C[C@H]1F)(C(C)C)C(C)C
InChIInChI=1S/C14H27FO2Si/c1-9(2)18(10(3)4,11(5)6)8-13-12(15)7-14(16)17-13/h9-13H,7-8H2,1-6H3/t12-,13-/m1/s1
InChIKeyDKGHKGKRDABJMP-CHWSQXEVSA-N
XLogP4.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.32
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 (4R,5S)-4-fluoro-5-[tri(propan-2-yl)silylmethyl]oxolan-2-one?
The IUPAC name of (4R,5S)-4-fluoro-5-[tri(propan-2-yl)silylmethyl]oxolan-2-one (CID 24753142) is (4R,5S)-4-fluoro-5-[tri(propan-2-yl)silylmethyl]oxolan-2-one.
What is the SMILES notation for (4R,5S)-4-fluoro-5-[tri(propan-2-yl)silylmethyl]oxolan-2-one?
The canonical SMILES for (4R,5S)-4-fluoro-5-[tri(propan-2-yl)silylmethyl]oxolan-2-one is CC(C)[Si](C[C@H]1OC(=O)C[C@H]1F)(C(C)C)C(C)C.
What is the InChIKey of (4R,5S)-4-fluoro-5-[tri(propan-2-yl)silylmethyl]oxolan-2-one?
The InChIKey is DKGHKGKRDABJMP-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H27FO2Si/c1-9(2)18(10(3)4,11(5)6)8-13-12(15)7-14(16)17-13/h9-13H,7-8H2,1-6H3/t12-,13-/m1/s1.
What are the key properties of (4R,5S)-4-fluoro-5-[tri(propan-2-yl)silylmethyl]oxolan-2-one?
(4R,5S)-4-fluoro-5-[tri(propan-2-yl)silylmethyl]oxolan-2-one has a molecular weight of 274.45 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-fluoro-5-[tri(propan-2-yl)silylmethyl]oxolan-2-one is sourced from PubChem (CID 24753142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).