6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhexa-1,4-diyn-3-one

C15H26O2Si2 — CID 12027339

IUPAC6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhexa-1,4-diyn-3-one
SMILESCC(C)(C)[Si](C)(C)OCC#CC(=O)C#C[Si](C)(C)C
InChIInChI=1S/C15H26O2Si2/c1-15(2,3)19(7,8)17-12-9-10-14(16)11-13-18(4,5)6/h12H2,1-8H3
InChIKeyUFAHCBCGQMBPDV-UHFFFAOYSA-N
MW294.54 g/mol
LogP3.46
Rot. Bonds2

About 6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhexa-1,4-diyn-3-one

6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhexa-1,4-diyn-3-one (PubChem CID 12027339) has the molecular formula C15H26O2Si2 and a molecular weight of 294.54 g/mol. Its IUPAC name is 6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhexa-1,4-diyn-3-one.

Molecular Properties

Compound Name6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhexa-1,4-diyn-3-one
PubChem CID12027339
Molecular FormulaC15H26O2Si2
Molecular Weight294.54 g/mol
Exact Mass294.15
IUPAC Name6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhexa-1,4-diyn-3-one
SMILESCC(C)(C)[Si](C)(C)OCC#CC(=O)C#C[Si](C)(C)C
InChIInChI=1S/C15H26O2Si2/c1-15(2,3)19(7,8)17-12-9-10-14(16)11-13-18(4,5)6/h12H2,1-8H3
InChIKeyUFAHCBCGQMBPDV-UHFFFAOYSA-N
XLogP3.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.54
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_yne_A(1)', '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'}

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Related Compounds

5-((Tert-butyldimethylsilyl)oxy)pent-2-ynal
CID 14591859
4-((Tert-butyldimethylsilyl)oxy)-4-methylpent-2-ynal
CID 10889620
6-((tert-Butyldimethylsilyl)oxy)hex-3-yn-2-one
CID 13449457
5-(tert-Butyldimethylsilyloxy)-1,1,1-trifluoropent-3-yn-2-one
CID 86663139
6-[Tert-butyl(dimethyl)silyl]oxy-1,1-difluorohex-3-yn-2-one
CID 165125046
5-[Tert-butyl(dimethyl)silyl]oxy-1,1-difluoropent-3-yn-2-one
CID 167483890
5-((Tert-butyldimethylsilyl)oxy)pent-3-yn-2-one
CID 12764994
8-[Tert-butyl(dimethyl)silyl]oxyoct-5-yn-4-one
CID 101226814
5-[Tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-one
CID 138968520
(5R)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-3-yn-2-one
CID 139263617
5-{[Tri(propan-2-yl)silyl]oxy}pent-3-yn-2-one
CID 71446232
6-[Tert-butyl(dimethyl)silyl]oxy-2-methylhex-4-yn-3-one
CID 12764995

Frequently Asked Questions

What is the IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhexa-1,4-diyn-3-one?
The IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhexa-1,4-diyn-3-one (CID 12027339) is 6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhexa-1,4-diyn-3-one.
What is the SMILES notation for 6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhexa-1,4-diyn-3-one?
The canonical SMILES for 6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhexa-1,4-diyn-3-one is CC(C)(C)[Si](C)(C)OCC#CC(=O)C#C[Si](C)(C)C.
What is the InChIKey of 6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhexa-1,4-diyn-3-one?
The InChIKey is UFAHCBCGQMBPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2Si2/c1-15(2,3)19(7,8)17-12-9-10-14(16)11-13-18(4,5)6/h12H2,1-8H3.
What are the key properties of 6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhexa-1,4-diyn-3-one?
6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhexa-1,4-diyn-3-one has a molecular weight of 294.54 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhexa-1,4-diyn-3-one is sourced from PubChem (CID 12027339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).