(3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypentan-2-one

C18H30O3Si — CID 58595717

IUPAC(3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypentan-2-one
SMILESCC(=O)[C@H](CCO[Si](C)(C)C(C)(C)C)OCc1ccccc1
InChIInChI=1S/C18H30O3Si/c1-15(19)17(20-14-16-10-8-7-9-11-16)12-13-21-22(5,6)18(2,3)4/h7-11,17H,12-14H2,1-6H3/t17-/m0/s1
InChIKeyFCMBGMCKXDKQSN-KRWDZBQOSA-N
MW322.52 g/mol
LogP4.57
Rot. Bonds8

About (3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypentan-2-one

(3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypentan-2-one (PubChem CID 58595717) has the molecular formula C18H30O3Si and a molecular weight of 322.52 g/mol. Its IUPAC name is (3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypentan-2-one.

Molecular Properties

Compound Name(3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypentan-2-one
PubChem CID58595717
Molecular FormulaC18H30O3Si
Molecular Weight322.52 g/mol
Exact Mass322.20
IUPAC Name(3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypentan-2-one
SMILESCC(=O)[C@H](CCO[Si](C)(C)C(C)(C)C)OCc1ccccc1
InChIInChI=1S/C18H30O3Si/c1-15(19)17(20-14-16-10-8-7-9-11-16)12-13-21-22(5,6)18(2,3)4/h7-11,17H,12-14H2,1-6H3/t17-/m0/s1
InChIKeyFCMBGMCKXDKQSN-KRWDZBQOSA-N
XLogP4.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.52
LogP ≤ 54.57
H-Bond Donors ≤ 50
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 (3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypentan-2-one?
The IUPAC name of (3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypentan-2-one (CID 58595717) is (3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypentan-2-one.
What is the SMILES notation for (3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypentan-2-one?
The canonical SMILES for (3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypentan-2-one is CC(=O)[C@H](CCO[Si](C)(C)C(C)(C)C)OCc1ccccc1.
What is the InChIKey of (3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypentan-2-one?
The InChIKey is FCMBGMCKXDKQSN-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H30O3Si/c1-15(19)17(20-14-16-10-8-7-9-11-16)12-13-21-22(5,6)18(2,3)4/h7-11,17H,12-14H2,1-6H3/t17-/m0/s1.
What are the key properties of (3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypentan-2-one?
(3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypentan-2-one has a molecular weight of 322.52 g/mol, XLogP of 4.57, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypentan-2-one is sourced from PubChem (CID 58595717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).