(3-tert-butyl-2-prop-2-enoxyphenyl)-(3,6-ditert-butyl-9H-fluoren-9-yl)-diethylsilane

C38H52OSi — CID 69232644

IUPAC(3-tert-butyl-2-prop-2-enoxyphenyl)-(3,6-ditert-butyl-9H-fluoren-9-yl)-diethylsilane
SMILESC=CCOc1c(C(C)(C)C)cccc1[Si](CC)(CC)C1c2ccc(C(C)(C)C)cc2-c2cc(C(C)(C)C)ccc21
InChIInChI=1S/C38H52OSi/c1-13-23-39-34-32(38(10,11)12)17-16-18-33(34)40(14-2,15-3)35-28-21-19-26(36(4,5)6)24-30(28)31-25-27(37(7,8)9)20-22-29(31)35/h13,16-22,24-25,35H,1,14-15,23H2,2-12H3
InChIKeyMNOMUYQHSMCXQX-UHFFFAOYSA-N
MW552.92 g/mol
LogP10.19
Rot. Bonds7

About (3-tert-butyl-2-prop-2-enoxyphenyl)-(3,6-ditert-butyl-9H-fluoren-9-yl)-diethylsilane

(3-tert-butyl-2-prop-2-enoxyphenyl)-(3,6-ditert-butyl-9H-fluoren-9-yl)-diethylsilane (PubChem CID 69232644) has the molecular formula C38H52OSi and a molecular weight of 552.92 g/mol. Its IUPAC name is (3-tert-butyl-2-prop-2-enoxyphenyl)-(3,6-ditert-butyl-9H-fluoren-9-yl)-diethylsilane.

Molecular Properties

Compound Name(3-tert-butyl-2-prop-2-enoxyphenyl)-(3,6-ditert-butyl-9H-fluoren-9-yl)-diethylsilane
PubChem CID69232644
Molecular FormulaC38H52OSi
Molecular Weight552.92 g/mol
Exact Mass552.38
IUPAC Name(3-tert-butyl-2-prop-2-enoxyphenyl)-(3,6-ditert-butyl-9H-fluoren-9-yl)-diethylsilane
SMILESC=CCOc1c(C(C)(C)C)cccc1[Si](CC)(CC)C1c2ccc(C(C)(C)C)cc2-c2cc(C(C)(C)C)ccc21
InChIInChI=1S/C38H52OSi/c1-13-23-39-34-32(38(10,11)12)17-16-18-33(34)40(14-2,15-3)35-28-21-19-26(36(4,5)6)24-30(28)31-25-27(37(7,8)9)20-22-29(31)35/h13,16-22,24-25,35H,1,14-15,23H2,2-12H3
InChIKeyMNOMUYQHSMCXQX-UHFFFAOYSA-N
XLogP10.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.92
LogP ≤ 510.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-2-prop-2-enoxyphenyl)-(3,6-ditert-butyl-9H-fluoren-9-yl)-diethylsilane?
The IUPAC name of (3-tert-butyl-2-prop-2-enoxyphenyl)-(3,6-ditert-butyl-9H-fluoren-9-yl)-diethylsilane (CID 69232644) is (3-tert-butyl-2-prop-2-enoxyphenyl)-(3,6-ditert-butyl-9H-fluoren-9-yl)-diethylsilane.
What is the SMILES notation for (3-tert-butyl-2-prop-2-enoxyphenyl)-(3,6-ditert-butyl-9H-fluoren-9-yl)-diethylsilane?
The canonical SMILES for (3-tert-butyl-2-prop-2-enoxyphenyl)-(3,6-ditert-butyl-9H-fluoren-9-yl)-diethylsilane is C=CCOc1c(C(C)(C)C)cccc1[Si](CC)(CC)C1c2ccc(C(C)(C)C)cc2-c2cc(C(C)(C)C)ccc21.
What is the InChIKey of (3-tert-butyl-2-prop-2-enoxyphenyl)-(3,6-ditert-butyl-9H-fluoren-9-yl)-diethylsilane?
The InChIKey is MNOMUYQHSMCXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H52OSi/c1-13-23-39-34-32(38(10,11)12)17-16-18-33(34)40(14-2,15-3)35-28-21-19-26(36(4,5)6)24-30(28)31-25-27(37(7,8)9)20-22-29(31)35/h13,16-22,24-25,35H,1,14-15,23H2,2-12H3.
What are the key properties of (3-tert-butyl-2-prop-2-enoxyphenyl)-(3,6-ditert-butyl-9H-fluoren-9-yl)-diethylsilane?
(3-tert-butyl-2-prop-2-enoxyphenyl)-(3,6-ditert-butyl-9H-fluoren-9-yl)-diethylsilane has a molecular weight of 552.92 g/mol, XLogP of 10.19, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-2-prop-2-enoxyphenyl)-(3,6-ditert-butyl-9H-fluoren-9-yl)-diethylsilane is sourced from PubChem (CID 69232644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).