4,4-difluoro-1,7-bis(trimethylsilyl)-3-(2-trimethylsilylethynyl)hepta-1,6-diyn-3-ol

C18H30F2OSi3 — CID 54590419

IUPAC4,4-difluoro-1,7-bis(trimethylsilyl)-3-(2-trimethylsilylethynyl)hepta-1,6-diyn-3-ol
SMILESC[Si](C)(C)C#CCC(F)(F)C(O)(C#C[Si](C)(C)C)C#C[Si](C)(C)C
InChIInChI=1S/C18H30F2OSi3/c1-22(2,3)14-10-11-18(19,20)17(21,12-15-23(4,5)6)13-16-24(7,8)9/h21H,11H2,1-9H3
InChIKeyVWNIFNNMLIKHKX-UHFFFAOYSA-N
MW384.69 g/mol
LogP4.39
Rot. Bonds2

About 4,4-difluoro-1,7-bis(trimethylsilyl)-3-(2-trimethylsilylethynyl)hepta-1,6-diyn-3-ol

4,4-difluoro-1,7-bis(trimethylsilyl)-3-(2-trimethylsilylethynyl)hepta-1,6-diyn-3-ol (PubChem CID 54590419) has the molecular formula C18H30F2OSi3 and a molecular weight of 384.69 g/mol. Its IUPAC name is 4,4-difluoro-1,7-bis(trimethylsilyl)-3-(2-trimethylsilylethynyl)hepta-1,6-diyn-3-ol.

Molecular Properties

Compound Name4,4-difluoro-1,7-bis(trimethylsilyl)-3-(2-trimethylsilylethynyl)hepta-1,6-diyn-3-ol
PubChem CID54590419
Molecular FormulaC18H30F2OSi3
Molecular Weight384.69 g/mol
Exact Mass384.16
IUPAC Name4,4-difluoro-1,7-bis(trimethylsilyl)-3-(2-trimethylsilylethynyl)hepta-1,6-diyn-3-ol
SMILESC[Si](C)(C)C#CCC(F)(F)C(O)(C#C[Si](C)(C)C)C#C[Si](C)(C)C
InChIInChI=1S/C18H30F2OSi3/c1-22(2,3)14-10-11-18(19,20)17(21,12-15-23(4,5)6)13-16-24(7,8)9/h21H,11H2,1-9H3
InChIKeyVWNIFNNMLIKHKX-UHFFFAOYSA-N
XLogP4.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.69
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4,4-difluoro-1,7-bis(trimethylsilyl)-3-(2-trimethylsilylethynyl)hepta-1,6-diyn-3-ol with MolForge

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Related Compounds

(2R)-1,1,1-trifluoro-2-methyl-4-trimethylsilylbut-3-yn-2-ol
CID 124635877
(3R)-3-methyl-1-trimethylsilylpent-1-yn-3-ol
CID 12630624
(2R)-2-phenyl-5-trimethylsilylpent-4-yn-2-ol
CID 134964720
(3R)-1-phenyl-3-(trifluoromethyl)-6-trimethylsilylhex-5-yn-3-ol
CID 71663566
(2R,4R)-2,4-dimethyl-7-trimethylsilylhept-6-yne-1,4-diol
CID 102227332
(3S)-3,4,4-trimethyl-1-trimethylsilylpent-1-yn-3-ol
CID 11401366
1-phenyl-1,4-bis(trimethylsilyl)but-3-yn-1-ol
CID 10401990
1-deuterio-3-trimethylsilylprop-2-yn-1-ol
CID 170672401
1,1-dideuterio-3-trimethylsilylprop-2-yn-1-ol
CID 170699958
3-(1,3-dioxolan-2-yl)-2,4,4-trimethyl-7-trimethylsilylhept-6-yn-3-ol
CID 90280758
(3-chloro-3-methylbut-1-ynyl)-trimethylsilane;2-methyl-4-trimethylsilylbut-3-yn-2-ol
CID 159934607
5-trimethylsilylpent-4-yn-2-ol
CID 11073669

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1,7-bis(trimethylsilyl)-3-(2-trimethylsilylethynyl)hepta-1,6-diyn-3-ol?
The IUPAC name of 4,4-difluoro-1,7-bis(trimethylsilyl)-3-(2-trimethylsilylethynyl)hepta-1,6-diyn-3-ol (CID 54590419) is 4,4-difluoro-1,7-bis(trimethylsilyl)-3-(2-trimethylsilylethynyl)hepta-1,6-diyn-3-ol.
What is the SMILES notation for 4,4-difluoro-1,7-bis(trimethylsilyl)-3-(2-trimethylsilylethynyl)hepta-1,6-diyn-3-ol?
The canonical SMILES for 4,4-difluoro-1,7-bis(trimethylsilyl)-3-(2-trimethylsilylethynyl)hepta-1,6-diyn-3-ol is C[Si](C)(C)C#CCC(F)(F)C(O)(C#C[Si](C)(C)C)C#C[Si](C)(C)C.
What is the InChIKey of 4,4-difluoro-1,7-bis(trimethylsilyl)-3-(2-trimethylsilylethynyl)hepta-1,6-diyn-3-ol?
The InChIKey is VWNIFNNMLIKHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30F2OSi3/c1-22(2,3)14-10-11-18(19,20)17(21,12-15-23(4,5)6)13-16-24(7,8)9/h21H,11H2,1-9H3.
What are the key properties of 4,4-difluoro-1,7-bis(trimethylsilyl)-3-(2-trimethylsilylethynyl)hepta-1,6-diyn-3-ol?
4,4-difluoro-1,7-bis(trimethylsilyl)-3-(2-trimethylsilylethynyl)hepta-1,6-diyn-3-ol has a molecular weight of 384.69 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1,7-bis(trimethylsilyl)-3-(2-trimethylsilylethynyl)hepta-1,6-diyn-3-ol is sourced from PubChem (CID 54590419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).