3-[tert-butyl(dimethyl)silyl]oxy-9-ethynylfluoren-9-ol

C21H24O2Si — CID 132581894

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-9-ethynylfluoren-9-ol
SMILESC#CC1(O)c2ccccc2-c2cc(O[Si](C)(C)C(C)(C)C)ccc21
InChIInChI=1S/C21H24O2Si/c1-7-21(22)18-11-9-8-10-16(18)17-14-15(12-13-19(17)21)23-24(5,6)20(2,3)4/h1,8-14,22H,2-6H3
InChIKeyMCAAXZDPWAPPSF-UHFFFAOYSA-N
MW336.51 g/mol
LogP4.92
Rot. Bonds2

About 3-[tert-butyl(dimethyl)silyl]oxy-9-ethynylfluoren-9-ol

3-[tert-butyl(dimethyl)silyl]oxy-9-ethynylfluoren-9-ol (PubChem CID 132581894) has the molecular formula C21H24O2Si and a molecular weight of 336.51 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-9-ethynylfluoren-9-ol.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-9-ethynylfluoren-9-ol
PubChem CID132581894
Molecular FormulaC21H24O2Si
Molecular Weight336.51 g/mol
Exact Mass336.15
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-9-ethynylfluoren-9-ol
SMILESC#CC1(O)c2ccccc2-c2cc(O[Si](C)(C)C(C)(C)C)ccc21
InChIInChI=1S/C21H24O2Si/c1-7-21(22)18-11-9-8-10-16(18)17-14-15(12-13-19(17)21)23-24(5,6)20(2,3)4/h1,8-14,22H,2-6H3
InChIKeyMCAAXZDPWAPPSF-UHFFFAOYSA-N
XLogP4.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.51
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxyphenoxy]-dimethylsilane
CID 15185639
tert-butyl-[4-[2-(9H-fluoren-2-yl)ethynyl]phenoxy]-dimethylsilane
CID 101439155
1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]prop-2-yn-1-one
CID 86037081
11H-benzo[b][1]benzazepin-2-yloxy-tert-butyl-dimethylsilane
CID 125363160
2-[5-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]phenyl]propan-2-ol
CID 175597081
tert-butyl-dimethyl-(7-phenylnaphthalen-2-yl)oxysilane
CID 166439727
2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-7,8,9,10-tetrahydro-6H-benzo[8]annulen-5-ol
CID 66557261
2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]aniline
CID 154489620
2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]isoindole-1,3-dione
CID 101154942
1-[5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)phenyl]cyclopentan-1-ol
CID 123400363
tert-butyl-(3-iodophenoxy)-dimethylsilane
CID 2757280
[7-[tert-butyl(dimethyl)silyl]oxynaphthalen-2-yl]boronic acid
CID 167739118

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-9-ethynylfluoren-9-ol?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-9-ethynylfluoren-9-ol (CID 132581894) is 3-[tert-butyl(dimethyl)silyl]oxy-9-ethynylfluoren-9-ol.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-9-ethynylfluoren-9-ol?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-9-ethynylfluoren-9-ol is C#CC1(O)c2ccccc2-c2cc(O[Si](C)(C)C(C)(C)C)ccc21.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-9-ethynylfluoren-9-ol?
The InChIKey is MCAAXZDPWAPPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O2Si/c1-7-21(22)18-11-9-8-10-16(18)17-14-15(12-13-19(17)21)23-24(5,6)20(2,3)4/h1,8-14,22H,2-6H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-9-ethynylfluoren-9-ol?
3-[tert-butyl(dimethyl)silyl]oxy-9-ethynylfluoren-9-ol has a molecular weight of 336.51 g/mol, XLogP of 4.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-9-ethynylfluoren-9-ol is sourced from PubChem (CID 132581894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).