(3R,5R)-5-hydroxy-2-methyl-3-tri(propan-2-yl)silyloxynonan-4-one

C19H40O3Si — CID 134944453

IUPAC(3R,5R)-5-hydroxy-2-methyl-3-tri(propan-2-yl)silyloxynonan-4-one
SMILESCCCC[C@@H](O)C(=O)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C19H40O3Si/c1-10-11-12-17(20)18(21)19(13(2)3)22-23(14(4)5,15(6)7)16(8)9/h13-17,19-20H,10-12H2,1-9H3/t17-,19-/m1/s1
InChIKeyMRJAZCNGEQODLT-IEBWSBKVSA-N
MW344.61 g/mol
LogP5.32
Rot. Bonds11

About (3R,5R)-5-hydroxy-2-methyl-3-tri(propan-2-yl)silyloxynonan-4-one

(3R,5R)-5-hydroxy-2-methyl-3-tri(propan-2-yl)silyloxynonan-4-one (PubChem CID 134944453) has the molecular formula C19H40O3Si and a molecular weight of 344.61 g/mol. Its IUPAC name is (3R,5R)-5-hydroxy-2-methyl-3-tri(propan-2-yl)silyloxynonan-4-one.

Molecular Properties

Compound Name(3R,5R)-5-hydroxy-2-methyl-3-tri(propan-2-yl)silyloxynonan-4-one
PubChem CID134944453
Molecular FormulaC19H40O3Si
Molecular Weight344.61 g/mol
Exact Mass344.27
IUPAC Name(3R,5R)-5-hydroxy-2-methyl-3-tri(propan-2-yl)silyloxynonan-4-one
SMILESCCCC[C@@H](O)C(=O)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C19H40O3Si/c1-10-11-12-17(20)18(21)19(13(2)3)22-23(14(4)5,15(6)7)16(8)9/h13-17,19-20H,10-12H2,1-9H3/t17-,19-/m1/s1
InChIKeyMRJAZCNGEQODLT-IEBWSBKVSA-N
XLogP5.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.61
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (3R,5R)-5-hydroxy-2-methyl-3-tri(propan-2-yl)silyloxynonan-4-one?
The IUPAC name of (3R,5R)-5-hydroxy-2-methyl-3-tri(propan-2-yl)silyloxynonan-4-one (CID 134944453) is (3R,5R)-5-hydroxy-2-methyl-3-tri(propan-2-yl)silyloxynonan-4-one.
What is the SMILES notation for (3R,5R)-5-hydroxy-2-methyl-3-tri(propan-2-yl)silyloxynonan-4-one?
The canonical SMILES for (3R,5R)-5-hydroxy-2-methyl-3-tri(propan-2-yl)silyloxynonan-4-one is CCCC[C@@H](O)C(=O)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)C(C)C.
What is the InChIKey of (3R,5R)-5-hydroxy-2-methyl-3-tri(propan-2-yl)silyloxynonan-4-one?
The InChIKey is MRJAZCNGEQODLT-IEBWSBKVSA-N. The full InChI is InChI=1S/C19H40O3Si/c1-10-11-12-17(20)18(21)19(13(2)3)22-23(14(4)5,15(6)7)16(8)9/h13-17,19-20H,10-12H2,1-9H3/t17-,19-/m1/s1.
What are the key properties of (3R,5R)-5-hydroxy-2-methyl-3-tri(propan-2-yl)silyloxynonan-4-one?
(3R,5R)-5-hydroxy-2-methyl-3-tri(propan-2-yl)silyloxynonan-4-one has a molecular weight of 344.61 g/mol, XLogP of 5.32, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-hydroxy-2-methyl-3-tri(propan-2-yl)silyloxynonan-4-one is sourced from PubChem (CID 134944453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).