(3,5-ditert-butyl-2-prop-2-enoxyphenyl)-(9H-fluoren-9-yl)-dimethylsilane

C32H40OSi — CID 18347307

IUPAC(3,5-ditert-butyl-2-prop-2-enoxyphenyl)-(9H-fluoren-9-yl)-dimethylsilane
SMILESC=CCOc1c(C(C)(C)C)cc(C(C)(C)C)cc1[Si](C)(C)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C32H40OSi/c1-10-19-33-29-27(32(5,6)7)20-22(31(2,3)4)21-28(29)34(8,9)30-25-17-13-11-15-23(25)24-16-12-14-18-26(24)30/h10-18,20-21,30H,1,19H2,2-9H3
InChIKeyHGBNAPOZSZMHOU-UHFFFAOYSA-N
MW468.76 g/mol
LogP8.11
Rot. Bonds5

About (3,5-ditert-butyl-2-prop-2-enoxyphenyl)-(9H-fluoren-9-yl)-dimethylsilane

(3,5-ditert-butyl-2-prop-2-enoxyphenyl)-(9H-fluoren-9-yl)-dimethylsilane (PubChem CID 18347307) has the molecular formula C32H40OSi and a molecular weight of 468.76 g/mol. Its IUPAC name is (3,5-ditert-butyl-2-prop-2-enoxyphenyl)-(9H-fluoren-9-yl)-dimethylsilane.

Molecular Properties

Compound Name(3,5-ditert-butyl-2-prop-2-enoxyphenyl)-(9H-fluoren-9-yl)-dimethylsilane
PubChem CID18347307
Molecular FormulaC32H40OSi
Molecular Weight468.76 g/mol
Exact Mass468.28
IUPAC Name(3,5-ditert-butyl-2-prop-2-enoxyphenyl)-(9H-fluoren-9-yl)-dimethylsilane
SMILESC=CCOc1c(C(C)(C)C)cc(C(C)(C)C)cc1[Si](C)(C)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C32H40OSi/c1-10-19-33-29-27(32(5,6)7)20-22(31(2,3)4)21-28(29)34(8,9)30-25-17-13-11-15-23(25)24-16-12-14-18-26(24)30/h10-18,20-21,30H,1,19H2,2-9H3
InChIKeyHGBNAPOZSZMHOU-UHFFFAOYSA-N
XLogP8.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.76
LogP ≤ 58.11
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 (3,5-ditert-butyl-2-prop-2-enoxyphenyl)-(9H-fluoren-9-yl)-dimethylsilane?
The IUPAC name of (3,5-ditert-butyl-2-prop-2-enoxyphenyl)-(9H-fluoren-9-yl)-dimethylsilane (CID 18347307) is (3,5-ditert-butyl-2-prop-2-enoxyphenyl)-(9H-fluoren-9-yl)-dimethylsilane.
What is the SMILES notation for (3,5-ditert-butyl-2-prop-2-enoxyphenyl)-(9H-fluoren-9-yl)-dimethylsilane?
The canonical SMILES for (3,5-ditert-butyl-2-prop-2-enoxyphenyl)-(9H-fluoren-9-yl)-dimethylsilane is C=CCOc1c(C(C)(C)C)cc(C(C)(C)C)cc1[Si](C)(C)C1c2ccccc2-c2ccccc21.
What is the InChIKey of (3,5-ditert-butyl-2-prop-2-enoxyphenyl)-(9H-fluoren-9-yl)-dimethylsilane?
The InChIKey is HGBNAPOZSZMHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40OSi/c1-10-19-33-29-27(32(5,6)7)20-22(31(2,3)4)21-28(29)34(8,9)30-25-17-13-11-15-23(25)24-16-12-14-18-26(24)30/h10-18,20-21,30H,1,19H2,2-9H3.
What are the key properties of (3,5-ditert-butyl-2-prop-2-enoxyphenyl)-(9H-fluoren-9-yl)-dimethylsilane?
(3,5-ditert-butyl-2-prop-2-enoxyphenyl)-(9H-fluoren-9-yl)-dimethylsilane has a molecular weight of 468.76 g/mol, XLogP of 8.11, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-ditert-butyl-2-prop-2-enoxyphenyl)-(9H-fluoren-9-yl)-dimethylsilane is sourced from PubChem (CID 18347307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).