(2R,5R)-5-hydroxy-2-methyl-1-tri(propan-2-yl)silyloxyoct-7-en-3-one

C18H36O3Si — CID 11738956

IUPAC(2R,5R)-5-hydroxy-2-methyl-1-tri(propan-2-yl)silyloxyoct-7-en-3-one
SMILESC=CC[C@@H](O)CC(=O)[C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H36O3Si/c1-9-10-17(19)11-18(20)16(8)12-21-22(13(2)3,14(4)5)15(6)7/h9,13-17,19H,1,10-12H2,2-8H3/t16-,17-/m1/s1
InChIKeyOAQDBIULTPUANY-IAGOWNOFSA-N
MW328.57 g/mol
LogP4.71
Rot. Bonds11

About (2R,5R)-5-hydroxy-2-methyl-1-tri(propan-2-yl)silyloxyoct-7-en-3-one

(2R,5R)-5-hydroxy-2-methyl-1-tri(propan-2-yl)silyloxyoct-7-en-3-one (PubChem CID 11738956) has the molecular formula C18H36O3Si and a molecular weight of 328.57 g/mol. Its IUPAC name is (2R,5R)-5-hydroxy-2-methyl-1-tri(propan-2-yl)silyloxyoct-7-en-3-one.

Molecular Properties

Compound Name(2R,5R)-5-hydroxy-2-methyl-1-tri(propan-2-yl)silyloxyoct-7-en-3-one
PubChem CID11738956
Molecular FormulaC18H36O3Si
Molecular Weight328.57 g/mol
Exact Mass328.24
IUPAC Name(2R,5R)-5-hydroxy-2-methyl-1-tri(propan-2-yl)silyloxyoct-7-en-3-one
SMILESC=CC[C@@H](O)CC(=O)[C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H36O3Si/c1-9-10-17(19)11-18(20)16(8)12-21-22(13(2)3,14(4)5)15(6)7/h9,13-17,19H,1,10-12H2,2-8H3/t16-,17-/m1/s1
InChIKeyOAQDBIULTPUANY-IAGOWNOFSA-N
XLogP4.71
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.57
LogP ≤ 54.71
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'}

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-5-hydroxy-2-methyl-1-tri(propan-2-yl)silyloxyoct-7-en-3-one?
The IUPAC name of (2R,5R)-5-hydroxy-2-methyl-1-tri(propan-2-yl)silyloxyoct-7-en-3-one (CID 11738956) is (2R,5R)-5-hydroxy-2-methyl-1-tri(propan-2-yl)silyloxyoct-7-en-3-one.
What is the SMILES notation for (2R,5R)-5-hydroxy-2-methyl-1-tri(propan-2-yl)silyloxyoct-7-en-3-one?
The canonical SMILES for (2R,5R)-5-hydroxy-2-methyl-1-tri(propan-2-yl)silyloxyoct-7-en-3-one is C=CC[C@@H](O)CC(=O)[C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (2R,5R)-5-hydroxy-2-methyl-1-tri(propan-2-yl)silyloxyoct-7-en-3-one?
The InChIKey is OAQDBIULTPUANY-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H36O3Si/c1-9-10-17(19)11-18(20)16(8)12-21-22(13(2)3,14(4)5)15(6)7/h9,13-17,19H,1,10-12H2,2-8H3/t16-,17-/m1/s1.
What are the key properties of (2R,5R)-5-hydroxy-2-methyl-1-tri(propan-2-yl)silyloxyoct-7-en-3-one?
(2R,5R)-5-hydroxy-2-methyl-1-tri(propan-2-yl)silyloxyoct-7-en-3-one has a molecular weight of 328.57 g/mol, XLogP of 4.71, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-5-hydroxy-2-methyl-1-tri(propan-2-yl)silyloxyoct-7-en-3-one is sourced from PubChem (CID 11738956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).