(3S,4R,5R)-3,4-dihydroxy-3-methyl-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one

C15H30O5Si — CID 167358438

IUPAC(3S,4R,5R)-3,4-dihydroxy-3-methyl-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one
SMILESCC(C)[Si](OC[C@H]1OC(=O)[C@@](C)(O)[C@@H]1O)(C(C)C)C(C)C
InChIInChI=1S/C15H30O5Si/c1-9(2)21(10(3)4,11(5)6)19-8-12-13(16)15(7,18)14(17)20-12/h9-13,16,18H,8H2,1-7H3/t12-,13-,15+/m1/s1
InChIKeyGKKTXESGRORTKC-NFAWXSAZSA-N
MW318.49 g/mol
LogP2.22
Rot. Bonds6

About (3S,4R,5R)-3,4-dihydroxy-3-methyl-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one

(3S,4R,5R)-3,4-dihydroxy-3-methyl-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one (PubChem CID 167358438) has the molecular formula C15H30O5Si and a molecular weight of 318.49 g/mol. Its IUPAC name is (3S,4R,5R)-3,4-dihydroxy-3-methyl-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one.

Molecular Properties

Compound Name(3S,4R,5R)-3,4-dihydroxy-3-methyl-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one
PubChem CID167358438
Molecular FormulaC15H30O5Si
Molecular Weight318.49 g/mol
Exact Mass318.19
IUPAC Name(3S,4R,5R)-3,4-dihydroxy-3-methyl-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one
SMILESCC(C)[Si](OC[C@H]1OC(=O)[C@@](C)(O)[C@@H]1O)(C(C)C)C(C)C
InChIInChI=1S/C15H30O5Si/c1-9(2)21(10(3)4,11(5)6)19-8-12-13(16)15(7,18)14(17)20-12/h9-13,16,18H,8H2,1-7H3/t12-,13-,15+/m1/s1
InChIKeyGKKTXESGRORTKC-NFAWXSAZSA-N
XLogP2.22
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3S,4R,5R)-3,4-dihydroxy-3-methyl-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 (3S,4R,5R)-3,4-dihydroxy-3-methyl-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one?
The IUPAC name of (3S,4R,5R)-3,4-dihydroxy-3-methyl-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one (CID 167358438) is (3S,4R,5R)-3,4-dihydroxy-3-methyl-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one.
What is the SMILES notation for (3S,4R,5R)-3,4-dihydroxy-3-methyl-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one?
The canonical SMILES for (3S,4R,5R)-3,4-dihydroxy-3-methyl-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one is CC(C)[Si](OC[C@H]1OC(=O)[C@@](C)(O)[C@@H]1O)(C(C)C)C(C)C.
What is the InChIKey of (3S,4R,5R)-3,4-dihydroxy-3-methyl-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one?
The InChIKey is GKKTXESGRORTKC-NFAWXSAZSA-N. The full InChI is InChI=1S/C15H30O5Si/c1-9(2)21(10(3)4,11(5)6)19-8-12-13(16)15(7,18)14(17)20-12/h9-13,16,18H,8H2,1-7H3/t12-,13-,15+/m1/s1.
What are the key properties of (3S,4R,5R)-3,4-dihydroxy-3-methyl-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one?
(3S,4R,5R)-3,4-dihydroxy-3-methyl-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one has a molecular weight of 318.49 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R)-3,4-dihydroxy-3-methyl-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one is sourced from PubChem (CID 167358438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).