(4R)-4-[tert-butyl(dimethyl)silyl]oxypentadecan-2-one

C21H44O2Si — CID 58160476

IUPAC(4R)-4-[tert-butyl(dimethyl)silyl]oxypentadecan-2-one
SMILESCCCCCCCCCCC[C@H](CC(C)=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H44O2Si/c1-8-9-10-11-12-13-14-15-16-17-20(18-19(2)22)23-24(6,7)21(3,4)5/h20H,8-18H2,1-7H3/t20-/m1/s1
InChIKeyFDYPOGGPVBZOCZ-HXUWFJFHSA-N
MW356.67 g/mol
LogP7.28
Rot. Bonds14

About (4R)-4-[tert-butyl(dimethyl)silyl]oxypentadecan-2-one

(4R)-4-[tert-butyl(dimethyl)silyl]oxypentadecan-2-one (PubChem CID 58160476) has the molecular formula C21H44O2Si and a molecular weight of 356.67 g/mol. Its IUPAC name is (4R)-4-[tert-butyl(dimethyl)silyl]oxypentadecan-2-one.

Molecular Properties

Compound Name(4R)-4-[tert-butyl(dimethyl)silyl]oxypentadecan-2-one
PubChem CID58160476
Molecular FormulaC21H44O2Si
Molecular Weight356.67 g/mol
Exact Mass356.31
IUPAC Name(4R)-4-[tert-butyl(dimethyl)silyl]oxypentadecan-2-one
SMILESCCCCCCCCCCC[C@H](CC(C)=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H44O2Si/c1-8-9-10-11-12-13-14-15-16-17-20(18-19(2)22)23-24(6,7)21(3,4)5/h20H,8-18H2,1-7H3/t20-/m1/s1
InChIKeyFDYPOGGPVBZOCZ-HXUWFJFHSA-N
XLogP7.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.67
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[tert-butyl(dimethyl)silyl]oxypentadecan-2-one?
The IUPAC name of (4R)-4-[tert-butyl(dimethyl)silyl]oxypentadecan-2-one (CID 58160476) is (4R)-4-[tert-butyl(dimethyl)silyl]oxypentadecan-2-one.
What is the SMILES notation for (4R)-4-[tert-butyl(dimethyl)silyl]oxypentadecan-2-one?
The canonical SMILES for (4R)-4-[tert-butyl(dimethyl)silyl]oxypentadecan-2-one is CCCCCCCCCCC[C@H](CC(C)=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R)-4-[tert-butyl(dimethyl)silyl]oxypentadecan-2-one?
The InChIKey is FDYPOGGPVBZOCZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H44O2Si/c1-8-9-10-11-12-13-14-15-16-17-20(18-19(2)22)23-24(6,7)21(3,4)5/h20H,8-18H2,1-7H3/t20-/m1/s1.
What are the key properties of (4R)-4-[tert-butyl(dimethyl)silyl]oxypentadecan-2-one?
(4R)-4-[tert-butyl(dimethyl)silyl]oxypentadecan-2-one has a molecular weight of 356.67 g/mol, XLogP of 7.28, 14 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]oxypentadecan-2-one is sourced from PubChem (CID 58160476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).