(3R)-3-hydroxy-3-methyl-5-tri(propan-2-yl)silyloxyhex-5-en-2-one

C16H32O3Si — CID 101442542

IUPAC(3R)-3-hydroxy-3-methyl-5-tri(propan-2-yl)silyloxyhex-5-en-2-one
SMILESC=C(C[C@@](C)(O)C(C)=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H32O3Si/c1-11(2)20(12(3)4,13(5)6)19-14(7)10-16(9,18)15(8)17/h11-13,18H,7,10H2,1-6,8-9H3/t16-/m1/s1
InChIKeyCFWARDXISISROA-MRXNPFEDSA-N
MW300.52 g/mol
LogP4.42
Rot. Bonds8

About (3R)-3-hydroxy-3-methyl-5-tri(propan-2-yl)silyloxyhex-5-en-2-one

(3R)-3-hydroxy-3-methyl-5-tri(propan-2-yl)silyloxyhex-5-en-2-one (PubChem CID 101442542) has the molecular formula C16H32O3Si and a molecular weight of 300.52 g/mol. Its IUPAC name is (3R)-3-hydroxy-3-methyl-5-tri(propan-2-yl)silyloxyhex-5-en-2-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-3-methyl-5-tri(propan-2-yl)silyloxyhex-5-en-2-one
PubChem CID101442542
Molecular FormulaC16H32O3Si
Molecular Weight300.52 g/mol
Exact Mass300.21
IUPAC Name(3R)-3-hydroxy-3-methyl-5-tri(propan-2-yl)silyloxyhex-5-en-2-one
SMILESC=C(C[C@@](C)(O)C(C)=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H32O3Si/c1-11(2)20(12(3)4,13(5)6)19-14(7)10-16(9,18)15(8)17/h11-13,18H,7,10H2,1-6,8-9H3/t16-/m1/s1
InChIKeyCFWARDXISISROA-MRXNPFEDSA-N
XLogP4.42
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.52
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-3-methyl-5-tri(propan-2-yl)silyloxyhex-5-en-2-one?
The IUPAC name of (3R)-3-hydroxy-3-methyl-5-tri(propan-2-yl)silyloxyhex-5-en-2-one (CID 101442542) is (3R)-3-hydroxy-3-methyl-5-tri(propan-2-yl)silyloxyhex-5-en-2-one.
What is the SMILES notation for (3R)-3-hydroxy-3-methyl-5-tri(propan-2-yl)silyloxyhex-5-en-2-one?
The canonical SMILES for (3R)-3-hydroxy-3-methyl-5-tri(propan-2-yl)silyloxyhex-5-en-2-one is C=C(C[C@@](C)(O)C(C)=O)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (3R)-3-hydroxy-3-methyl-5-tri(propan-2-yl)silyloxyhex-5-en-2-one?
The InChIKey is CFWARDXISISROA-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-11(2)20(12(3)4,13(5)6)19-14(7)10-16(9,18)15(8)17/h11-13,18H,7,10H2,1-6,8-9H3/t16-/m1/s1.
What are the key properties of (3R)-3-hydroxy-3-methyl-5-tri(propan-2-yl)silyloxyhex-5-en-2-one?
(3R)-3-hydroxy-3-methyl-5-tri(propan-2-yl)silyloxyhex-5-en-2-one has a molecular weight of 300.52 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-3-methyl-5-tri(propan-2-yl)silyloxyhex-5-en-2-one is sourced from PubChem (CID 101442542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).