(4R)-4-[tert-butyl(dimethyl)silyl]-5-methylhex-5-en-2-one

C13H26OSi — CID 101440558

IUPAC(4R)-4-[tert-butyl(dimethyl)silyl]-5-methylhex-5-en-2-one
SMILESC=C(C)[C@@H](CC(C)=O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26OSi/c1-10(2)12(9-11(3)14)15(7,8)13(4,5)6/h12H,1,9H2,2-8H3/t12-/m1/s1
InChIKeyWFGVOXRBGDMKCJ-GFCCVEGCSA-N
MW226.44 g/mol
LogP4.42
Rot. Bonds4

About (4R)-4-[tert-butyl(dimethyl)silyl]-5-methylhex-5-en-2-one

(4R)-4-[tert-butyl(dimethyl)silyl]-5-methylhex-5-en-2-one (PubChem CID 101440558) has the molecular formula C13H26OSi and a molecular weight of 226.44 g/mol. Its IUPAC name is (4R)-4-[tert-butyl(dimethyl)silyl]-5-methylhex-5-en-2-one.

Molecular Properties

Compound Name(4R)-4-[tert-butyl(dimethyl)silyl]-5-methylhex-5-en-2-one
PubChem CID101440558
Molecular FormulaC13H26OSi
Molecular Weight226.44 g/mol
Exact Mass226.18
IUPAC Name(4R)-4-[tert-butyl(dimethyl)silyl]-5-methylhex-5-en-2-one
SMILESC=C(C)[C@@H](CC(C)=O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26OSi/c1-10(2)12(9-11(3)14)15(7,8)13(4,5)6/h12H,1,9H2,2-8H3/t12-/m1/s1
InChIKeyWFGVOXRBGDMKCJ-GFCCVEGCSA-N
XLogP4.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.44
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (4R)-4-[tert-butyl(dimethyl)silyl]-5-methylhex-5-en-2-one?
The IUPAC name of (4R)-4-[tert-butyl(dimethyl)silyl]-5-methylhex-5-en-2-one (CID 101440558) is (4R)-4-[tert-butyl(dimethyl)silyl]-5-methylhex-5-en-2-one.
What is the SMILES notation for (4R)-4-[tert-butyl(dimethyl)silyl]-5-methylhex-5-en-2-one?
The canonical SMILES for (4R)-4-[tert-butyl(dimethyl)silyl]-5-methylhex-5-en-2-one is C=C(C)[C@@H](CC(C)=O)[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R)-4-[tert-butyl(dimethyl)silyl]-5-methylhex-5-en-2-one?
The InChIKey is WFGVOXRBGDMKCJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H26OSi/c1-10(2)12(9-11(3)14)15(7,8)13(4,5)6/h12H,1,9H2,2-8H3/t12-/m1/s1.
What are the key properties of (4R)-4-[tert-butyl(dimethyl)silyl]-5-methylhex-5-en-2-one?
(4R)-4-[tert-butyl(dimethyl)silyl]-5-methylhex-5-en-2-one has a molecular weight of 226.44 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[tert-butyl(dimethyl)silyl]-5-methylhex-5-en-2-one is sourced from PubChem (CID 101440558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).