1,8-bis[[tert-butyl(dimethyl)silyl]oxy]oct-4-yn-3-one

C20H40O3Si2 — CID 12040186

IUPAC1,8-bis[[tert-butyl(dimethyl)silyl]oxy]oct-4-yn-3-one
SMILESCC(C)(C)[Si](C)(C)OCCCC#CC(=O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H40O3Si2/c1-19(2,3)24(7,8)22-16-13-11-12-14-18(21)15-17-23-25(9,10)20(4,5)6/h11,13,15-17H2,1-10H3
InChIKeyMDZLIKWAAIKLNU-UHFFFAOYSA-N
MW384.71 g/mol
LogP5.77
Rot. Bonds8

About 1,8-bis[[tert-butyl(dimethyl)silyl]oxy]oct-4-yn-3-one

1,8-bis[[tert-butyl(dimethyl)silyl]oxy]oct-4-yn-3-one (PubChem CID 12040186) has the molecular formula C20H40O3Si2 and a molecular weight of 384.71 g/mol. Its IUPAC name is 1,8-bis[[tert-butyl(dimethyl)silyl]oxy]oct-4-yn-3-one.

Molecular Properties

Compound Name1,8-bis[[tert-butyl(dimethyl)silyl]oxy]oct-4-yn-3-one
PubChem CID12040186
Molecular FormulaC20H40O3Si2
Molecular Weight384.71 g/mol
Exact Mass384.25
IUPAC Name1,8-bis[[tert-butyl(dimethyl)silyl]oxy]oct-4-yn-3-one
SMILESCC(C)(C)[Si](C)(C)OCCCC#CC(=O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H40O3Si2/c1-19(2,3)24(7,8)22-16-13-11-12-14-18(21)15-17-23-25(9,10)20(4,5)6/h11,13,15-17H2,1-10H3
InChIKeyMDZLIKWAAIKLNU-UHFFFAOYSA-N
XLogP5.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.71
LogP ≤ 55.77
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_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1,8-bis[[tert-butyl(dimethyl)silyl]oxy]oct-4-yn-3-one with MolForge

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

Launch Full Analysis

Related Compounds

(2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-4-yn-3-one
CID 11447832
1,9-Bis[[tert-butyl(dimethyl)silyl]oxy]non-4-yn-3-one
CID 11452321
5-[Tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-one
CID 138968520
(2S)-2,11-bis[[tert-butyl(dimethyl)silyl]oxy]trideca-4,7-diyn-6-one
CID 16116371
1,5-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-3-pentanone
CID 86673008
1,16-Bis[[tert-butyl(dimethyl)silyl]oxy]hexadeca-3,5,10,12-tetrayn-7-one
CID 89717141
1,16-Bis[[tert-butyl(dimethyl)silyl]oxy]hexadeca-4,6,11,13-tetrayn-8-one
CID 89717142
5-((Tert-butyldimethylsilyl)oxy)pent-1-yn-3-one
CID 123715488
(S)-5-((tert-butyldimethylsilyl)oxy)-4-methylpent-1-yn-3-one
CID 123720335
5-[Tert-butyl(dimethyl)silyl]oxy-4-methylpent-1-yn-3-one
CID 173585666
8-[Tert-butyl(dimethyl)silyl]oxyoct-4-yn-3-one
CID 10858037
8-[Tert-butyl(dimethyl)silyl]oxy-1-tri(propan-2-yl)silyloct-3-yn-1-one
CID 11080110

Frequently Asked Questions

What is the IUPAC name of 1,8-bis[[tert-butyl(dimethyl)silyl]oxy]oct-4-yn-3-one?
The IUPAC name of 1,8-bis[[tert-butyl(dimethyl)silyl]oxy]oct-4-yn-3-one (CID 12040186) is 1,8-bis[[tert-butyl(dimethyl)silyl]oxy]oct-4-yn-3-one.
What is the SMILES notation for 1,8-bis[[tert-butyl(dimethyl)silyl]oxy]oct-4-yn-3-one?
The canonical SMILES for 1,8-bis[[tert-butyl(dimethyl)silyl]oxy]oct-4-yn-3-one is CC(C)(C)[Si](C)(C)OCCCC#CC(=O)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1,8-bis[[tert-butyl(dimethyl)silyl]oxy]oct-4-yn-3-one?
The InChIKey is MDZLIKWAAIKLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O3Si2/c1-19(2,3)24(7,8)22-16-13-11-12-14-18(21)15-17-23-25(9,10)20(4,5)6/h11,13,15-17H2,1-10H3.
What are the key properties of 1,8-bis[[tert-butyl(dimethyl)silyl]oxy]oct-4-yn-3-one?
1,8-bis[[tert-butyl(dimethyl)silyl]oxy]oct-4-yn-3-one has a molecular weight of 384.71 g/mol, XLogP of 5.77, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-bis[[tert-butyl(dimethyl)silyl]oxy]oct-4-yn-3-one is sourced from PubChem (CID 12040186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).