(E,2R,4S,5S)-5-hydroxy-2,4,6-trimethyl-1-tri(propan-2-yl)silyloxyoct-6-en-3-one

C20H40O3Si — CID 101204275

IUPAC(E,2R,4S,5S)-5-hydroxy-2,4,6-trimethyl-1-tri(propan-2-yl)silyloxyoct-6-en-3-one
SMILESC/C=C(\C)[C@@H](O)[C@H](C)C(=O)[C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H40O3Si/c1-11-16(8)19(21)18(10)20(22)17(9)12-23-24(13(2)3,14(4)5)15(6)7/h11,13-15,17-19,21H,12H2,1-10H3/b16-11+/t17-,18+,19-/m1/s1
InChIKeyBRVXMDSWYKJCLX-VFSDAXNYSA-N
MW356.62 g/mol
LogP5.35
Rot. Bonds10

About (E,2R,4S,5S)-5-hydroxy-2,4,6-trimethyl-1-tri(propan-2-yl)silyloxyoct-6-en-3-one

(E,2R,4S,5S)-5-hydroxy-2,4,6-trimethyl-1-tri(propan-2-yl)silyloxyoct-6-en-3-one (PubChem CID 101204275) has the molecular formula C20H40O3Si and a molecular weight of 356.62 g/mol. Its IUPAC name is (E,2R,4S,5S)-5-hydroxy-2,4,6-trimethyl-1-tri(propan-2-yl)silyloxyoct-6-en-3-one.

Molecular Properties

Compound Name(E,2R,4S,5S)-5-hydroxy-2,4,6-trimethyl-1-tri(propan-2-yl)silyloxyoct-6-en-3-one
PubChem CID101204275
Molecular FormulaC20H40O3Si
Molecular Weight356.62 g/mol
Exact Mass356.27
IUPAC Name(E,2R,4S,5S)-5-hydroxy-2,4,6-trimethyl-1-tri(propan-2-yl)silyloxyoct-6-en-3-one
SMILESC/C=C(\C)[C@@H](O)[C@H](C)C(=O)[C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H40O3Si/c1-11-16(8)19(21)18(10)20(22)17(9)12-23-24(13(2)3,14(4)5)15(6)7/h11,13-15,17-19,21H,12H2,1-10H3/b16-11+/t17-,18+,19-/m1/s1
InChIKeyBRVXMDSWYKJCLX-VFSDAXNYSA-N
XLogP5.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.62
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E,2R,4S,5S)-5-hydroxy-2,4,6-trimethyl-1-tri(propan-2-yl)silyloxyoct-6-en-3-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 (E,2R,4S,5S)-5-hydroxy-2,4,6-trimethyl-1-tri(propan-2-yl)silyloxyoct-6-en-3-one?
The IUPAC name of (E,2R,4S,5S)-5-hydroxy-2,4,6-trimethyl-1-tri(propan-2-yl)silyloxyoct-6-en-3-one (CID 101204275) is (E,2R,4S,5S)-5-hydroxy-2,4,6-trimethyl-1-tri(propan-2-yl)silyloxyoct-6-en-3-one.
What is the SMILES notation for (E,2R,4S,5S)-5-hydroxy-2,4,6-trimethyl-1-tri(propan-2-yl)silyloxyoct-6-en-3-one?
The canonical SMILES for (E,2R,4S,5S)-5-hydroxy-2,4,6-trimethyl-1-tri(propan-2-yl)silyloxyoct-6-en-3-one is C/C=C(\C)[C@@H](O)[C@H](C)C(=O)[C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (E,2R,4S,5S)-5-hydroxy-2,4,6-trimethyl-1-tri(propan-2-yl)silyloxyoct-6-en-3-one?
The InChIKey is BRVXMDSWYKJCLX-VFSDAXNYSA-N. The full InChI is InChI=1S/C20H40O3Si/c1-11-16(8)19(21)18(10)20(22)17(9)12-23-24(13(2)3,14(4)5)15(6)7/h11,13-15,17-19,21H,12H2,1-10H3/b16-11+/t17-,18+,19-/m1/s1.
What are the key properties of (E,2R,4S,5S)-5-hydroxy-2,4,6-trimethyl-1-tri(propan-2-yl)silyloxyoct-6-en-3-one?
(E,2R,4S,5S)-5-hydroxy-2,4,6-trimethyl-1-tri(propan-2-yl)silyloxyoct-6-en-3-one has a molecular weight of 356.62 g/mol, XLogP of 5.35, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R,4S,5S)-5-hydroxy-2,4,6-trimethyl-1-tri(propan-2-yl)silyloxyoct-6-en-3-one is sourced from PubChem (CID 101204275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).