(E,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyltetradec-4-en-3-one

C22H44O2Si — CID 10474218

IUPAC(E,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyltetradec-4-en-3-one
SMILESCCCCCCCC[C@@H](/C=C/C(=O)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H44O2Si/c1-10-11-12-13-14-15-16-19(17-18-20(23)21(2,3)4)24-25(8,9)22(5,6)7/h17-19H,10-16H2,1-9H3/b18-17+/t19-/m0/s1
InChIKeyGLQPCRXSVQVORT-QZZNQRLBSA-N
MW368.68 g/mol
LogP7.30
Rot. Bonds11

About (E,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyltetradec-4-en-3-one

(E,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyltetradec-4-en-3-one (PubChem CID 10474218) has the molecular formula C22H44O2Si and a molecular weight of 368.68 g/mol. Its IUPAC name is (E,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyltetradec-4-en-3-one.

Molecular Properties

Compound Name(E,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyltetradec-4-en-3-one
PubChem CID10474218
Molecular FormulaC22H44O2Si
Molecular Weight368.68 g/mol
Exact Mass368.31
IUPAC Name(E,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyltetradec-4-en-3-one
SMILESCCCCCCCC[C@@H](/C=C/C(=O)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H44O2Si/c1-10-11-12-13-14-15-16-19(17-18-20(23)21(2,3)4)24-25(8,9)22(5,6)7/h17-19H,10-16H2,1-9H3/b18-17+/t19-/m0/s1
InChIKeyGLQPCRXSVQVORT-QZZNQRLBSA-N
XLogP7.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.68
LogP ≤ 57.30
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyltetradec-4-en-3-one?
The IUPAC name of (E,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyltetradec-4-en-3-one (CID 10474218) is (E,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyltetradec-4-en-3-one.
What is the SMILES notation for (E,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyltetradec-4-en-3-one?
The canonical SMILES for (E,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyltetradec-4-en-3-one is CCCCCCCC[C@@H](/C=C/C(=O)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyltetradec-4-en-3-one?
The InChIKey is GLQPCRXSVQVORT-QZZNQRLBSA-N. The full InChI is InChI=1S/C22H44O2Si/c1-10-11-12-13-14-15-16-19(17-18-20(23)21(2,3)4)24-25(8,9)22(5,6)7/h17-19H,10-16H2,1-9H3/b18-17+/t19-/m0/s1.
What are the key properties of (E,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyltetradec-4-en-3-one?
(E,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyltetradec-4-en-3-one has a molecular weight of 368.68 g/mol, XLogP of 7.30, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyltetradec-4-en-3-one is sourced from PubChem (CID 10474218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).