[9-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-9H-fluoren-4-yl] acetate

C23H28O3Si — CID 70103525

IUPAC[9-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-9H-fluoren-4-yl] acetate
SMILESC=C(O[Si](C)(C)C(C)(C)C)C1c2ccccc2-c2c(OC(C)=O)cccc21
InChIInChI=1S/C23H28O3Si/c1-15(26-27(6,7)23(3,4)5)21-17-11-8-9-12-18(17)22-19(21)13-10-14-20(22)25-16(2)24/h8-14,21H,1H2,2-7H3
InChIKeyCMHZMPHQYLIAHQ-UHFFFAOYSA-N
MW380.56 g/mol
LogP6.26
Rot. Bonds4

About [9-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-9H-fluoren-4-yl] acetate

[9-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-9H-fluoren-4-yl] acetate (PubChem CID 70103525) has the molecular formula C23H28O3Si and a molecular weight of 380.56 g/mol. Its IUPAC name is [9-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-9H-fluoren-4-yl] acetate.

Molecular Properties

Compound Name[9-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-9H-fluoren-4-yl] acetate
PubChem CID70103525
Molecular FormulaC23H28O3Si
Molecular Weight380.56 g/mol
Exact Mass380.18
IUPAC Name[9-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-9H-fluoren-4-yl] acetate
SMILESC=C(O[Si](C)(C)C(C)(C)C)C1c2ccccc2-c2c(OC(C)=O)cccc21
InChIInChI=1S/C23H28O3Si/c1-15(26-27(6,7)23(3,4)5)21-17-11-8-9-12-18(17)22-19(21)13-10-14-20(22)25-16(2)24/h8-14,21H,1H2,2-7H3
InChIKeyCMHZMPHQYLIAHQ-UHFFFAOYSA-N
XLogP6.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.56
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [9-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-9H-fluoren-4-yl] acetate?
The IUPAC name of [9-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-9H-fluoren-4-yl] acetate (CID 70103525) is [9-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-9H-fluoren-4-yl] acetate.
What is the SMILES notation for [9-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-9H-fluoren-4-yl] acetate?
The canonical SMILES for [9-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-9H-fluoren-4-yl] acetate is C=C(O[Si](C)(C)C(C)(C)C)C1c2ccccc2-c2c(OC(C)=O)cccc21.
What is the InChIKey of [9-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-9H-fluoren-4-yl] acetate?
The InChIKey is CMHZMPHQYLIAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O3Si/c1-15(26-27(6,7)23(3,4)5)21-17-11-8-9-12-18(17)22-19(21)13-10-14-20(22)25-16(2)24/h8-14,21H,1H2,2-7H3.
What are the key properties of [9-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-9H-fluoren-4-yl] acetate?
[9-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-9H-fluoren-4-yl] acetate has a molecular weight of 380.56 g/mol, XLogP of 6.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [9-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-9H-fluoren-4-yl] acetate is sourced from PubChem (CID 70103525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).