(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-phenylhexan-2-one

C18H30O2Si — CID 15263835

IUPAC(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-phenylhexan-2-one
SMILESCC(=O)C[C@@H](CCc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H30O2Si/c1-15(19)14-17(20-21(5,6)18(2,3)4)13-12-16-10-8-7-9-11-16/h7-11,17H,12-14H2,1-6H3/t17-/m1/s1
InChIKeyYBLGBEMWMWQNBF-QGZVFWFLSA-N
MW306.52 g/mol
LogP4.99
Rot. Bonds7

About (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-phenylhexan-2-one

(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-phenylhexan-2-one (PubChem CID 15263835) has the molecular formula C18H30O2Si and a molecular weight of 306.52 g/mol. Its IUPAC name is (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-phenylhexan-2-one.

Molecular Properties

Compound Name(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-phenylhexan-2-one
PubChem CID15263835
Molecular FormulaC18H30O2Si
Molecular Weight306.52 g/mol
Exact Mass306.20
IUPAC Name(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-phenylhexan-2-one
SMILESCC(=O)C[C@@H](CCc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H30O2Si/c1-15(19)14-17(20-21(5,6)18(2,3)4)13-12-16-10-8-7-9-11-16/h7-11,17H,12-14H2,1-6H3/t17-/m1/s1
InChIKeyYBLGBEMWMWQNBF-QGZVFWFLSA-N
XLogP4.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.52
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Methoxy-1,7-diphenyl-3-heptanone
CID 5319430
5-Hydroxy-1-phenyldecan-3-one
CID 57397938
5-Hydroxy-1-phenyldodecan-3-one
CID 137432120
1-(4-Fluorophenyl)-5-hydroxydodecan-3-one
CID 137432122
1-(4-Fluorophenyl)-5-hydroxydecan-3-one
CID 137432349
(5s)-5-Methoxy-1,7-diphenylhept-3-one
CID 26437440
2-Methoxy-1,7-diphenylheptan-4-one
CID 24881476
5-Methoxy-1,6-diphenylhexan-3-one
CID 24881815
4-Methoxy-1,6-diphenylhexan-2-one
CID 24881816
6-Methoxy-1,8-diphenyloctan-4-one
CID 24881817
5-Hydroxy-1-phenyloctan-3-one
CID 156011409
5-Hydroxy-1-(4-methylphenyl)octan-3-one
CID 156016936

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-phenylhexan-2-one?
The IUPAC name of (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-phenylhexan-2-one (CID 15263835) is (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-phenylhexan-2-one.
What is the SMILES notation for (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-phenylhexan-2-one?
The canonical SMILES for (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-phenylhexan-2-one is CC(=O)C[C@@H](CCc1ccccc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-phenylhexan-2-one?
The InChIKey is YBLGBEMWMWQNBF-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H30O2Si/c1-15(19)14-17(20-21(5,6)18(2,3)4)13-12-16-10-8-7-9-11-16/h7-11,17H,12-14H2,1-6H3/t17-/m1/s1.
What are the key properties of (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-phenylhexan-2-one?
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-phenylhexan-2-one has a molecular weight of 306.52 g/mol, XLogP of 4.99, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-phenylhexan-2-one is sourced from PubChem (CID 15263835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).