(E,8R,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]dec-3-en-2-one

C22H46O3Si2 — CID 134838203

IUPAC(E,8R,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]dec-3-en-2-one
SMILESCC(=O)/C=C/CCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H46O3Si2/c1-18(23)16-14-13-15-17-20(25-27(11,12)22(6,7)8)19(2)24-26(9,10)21(3,4)5/h14,16,19-20H,13,15,17H2,1-12H3/b16-14+/t19-,20+/m0/s1
InChIKeyQTPVJHWUEIHXSN-JQTHLGOZSA-N
MW414.78 g/mol
LogP7.10
Rot. Bonds10

About (E,8R,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]dec-3-en-2-one

(E,8R,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]dec-3-en-2-one (PubChem CID 134838203) has the molecular formula C22H46O3Si2 and a molecular weight of 414.78 g/mol. Its IUPAC name is (E,8R,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]dec-3-en-2-one.

Molecular Properties

Compound Name(E,8R,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]dec-3-en-2-one
PubChem CID134838203
Molecular FormulaC22H46O3Si2
Molecular Weight414.78 g/mol
Exact Mass414.30
IUPAC Name(E,8R,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]dec-3-en-2-one
SMILESCC(=O)/C=C/CCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H46O3Si2/c1-18(23)16-14-13-15-17-20(25-27(11,12)22(6,7)8)19(2)24-26(9,10)21(3,4)5/h14,16,19-20H,13,15,17H2,1-12H3/b16-14+/t19-,20+/m0/s1
InChIKeyQTPVJHWUEIHXSN-JQTHLGOZSA-N
XLogP7.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.78
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

Analyze (E,8R,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]dec-3-en-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E,8R,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]dec-3-en-2-one?
The IUPAC name of (E,8R,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]dec-3-en-2-one (CID 134838203) is (E,8R,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]dec-3-en-2-one.
What is the SMILES notation for (E,8R,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]dec-3-en-2-one?
The canonical SMILES for (E,8R,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]dec-3-en-2-one is CC(=O)/C=C/CCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,8R,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]dec-3-en-2-one?
The InChIKey is QTPVJHWUEIHXSN-JQTHLGOZSA-N. The full InChI is InChI=1S/C22H46O3Si2/c1-18(23)16-14-13-15-17-20(25-27(11,12)22(6,7)8)19(2)24-26(9,10)21(3,4)5/h14,16,19-20H,13,15,17H2,1-12H3/b16-14+/t19-,20+/m0/s1.
What are the key properties of (E,8R,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]dec-3-en-2-one?
(E,8R,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]dec-3-en-2-one has a molecular weight of 414.78 g/mol, XLogP of 7.10, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,8R,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]dec-3-en-2-one is sourced from PubChem (CID 134838203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).