(5S)-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one

C14H28O3Si — CID 15819369

IUPAC(5S)-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one
SMILESCC(C)[Si](OC[C@@H]1CCC(=O)O1)(C(C)C)C(C)C
InChIInChI=1S/C14H28O3Si/c1-10(2)18(11(3)4,12(5)6)16-9-13-7-8-14(15)17-13/h10-13H,7-9H2,1-6H3/t13-/m0/s1
InChIKeyLJAJSNNKLUOKPV-ZDUSSCGKSA-N
MW272.46 g/mol
LogP3.88
Rot. Bonds6

About (5S)-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one

(5S)-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one (PubChem CID 15819369) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is (5S)-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one.

Molecular Properties

Compound Name(5S)-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one
PubChem CID15819369
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Name(5S)-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one
SMILESCC(C)[Si](OC[C@@H]1CCC(=O)O1)(C(C)C)C(C)C
InChIInChI=1S/C14H28O3Si/c1-10(2)18(11(3)4,12(5)6)16-9-13-7-8-14(15)17-13/h10-13H,7-9H2,1-6H3/t13-/m0/s1
InChIKeyLJAJSNNKLUOKPV-ZDUSSCGKSA-N
XLogP3.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5S)-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one?
The IUPAC name of (5S)-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one (CID 15819369) is (5S)-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one.
What is the SMILES notation for (5S)-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one?
The canonical SMILES for (5S)-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one is CC(C)[Si](OC[C@@H]1CCC(=O)O1)(C(C)C)C(C)C.
What is the InChIKey of (5S)-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one?
The InChIKey is LJAJSNNKLUOKPV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-10(2)18(11(3)4,12(5)6)16-9-13-7-8-14(15)17-13/h10-13H,7-9H2,1-6H3/t13-/m0/s1.
What are the key properties of (5S)-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one?
(5S)-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one has a molecular weight of 272.46 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one is sourced from PubChem (CID 15819369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).