(2,7-ditert-butyl-9H-fluoren-9-yl)-diethyl-(3-methyl-2-prop-2-enoxyphenyl)silane

C35H46OSi — CID 69233636

IUPAC(2,7-ditert-butyl-9H-fluoren-9-yl)-diethyl-(3-methyl-2-prop-2-enoxyphenyl)silane
SMILESC=CCOc1c(C)cccc1[Si](CC)(CC)C1c2cc(C(C)(C)C)ccc2-c2ccc(C(C)(C)C)cc21
InChIInChI=1S/C35H46OSi/c1-11-21-36-32-24(4)15-14-16-31(32)37(12-2,13-3)33-29-22-25(34(5,6)7)17-19-27(29)28-20-18-26(23-30(28)33)35(8,9)10/h11,14-20,22-23,33H,1,12-13,21H2,2-10H3
InChIKeyIZRLMWVXPLQGJP-UHFFFAOYSA-N
MW510.84 g/mol
LogP9.20
Rot. Bonds7

About (2,7-ditert-butyl-9H-fluoren-9-yl)-diethyl-(3-methyl-2-prop-2-enoxyphenyl)silane

(2,7-ditert-butyl-9H-fluoren-9-yl)-diethyl-(3-methyl-2-prop-2-enoxyphenyl)silane (PubChem CID 69233636) has the molecular formula C35H46OSi and a molecular weight of 510.84 g/mol. Its IUPAC name is (2,7-ditert-butyl-9H-fluoren-9-yl)-diethyl-(3-methyl-2-prop-2-enoxyphenyl)silane.

Molecular Properties

Compound Name(2,7-ditert-butyl-9H-fluoren-9-yl)-diethyl-(3-methyl-2-prop-2-enoxyphenyl)silane
PubChem CID69233636
Molecular FormulaC35H46OSi
Molecular Weight510.84 g/mol
Exact Mass510.33
IUPAC Name(2,7-ditert-butyl-9H-fluoren-9-yl)-diethyl-(3-methyl-2-prop-2-enoxyphenyl)silane
SMILESC=CCOc1c(C)cccc1[Si](CC)(CC)C1c2cc(C(C)(C)C)ccc2-c2ccc(C(C)(C)C)cc21
InChIInChI=1S/C35H46OSi/c1-11-21-36-32-24(4)15-14-16-31(32)37(12-2,13-3)33-29-22-25(34(5,6)7)17-19-27(29)28-20-18-26(23-30(28)33)35(8,9)10/h11,14-20,22-23,33H,1,12-13,21H2,2-10H3
InChIKeyIZRLMWVXPLQGJP-UHFFFAOYSA-N
XLogP9.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.84
LogP ≤ 59.20
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 (2,7-ditert-butyl-9H-fluoren-9-yl)-diethyl-(3-methyl-2-prop-2-enoxyphenyl)silane?
The IUPAC name of (2,7-ditert-butyl-9H-fluoren-9-yl)-diethyl-(3-methyl-2-prop-2-enoxyphenyl)silane (CID 69233636) is (2,7-ditert-butyl-9H-fluoren-9-yl)-diethyl-(3-methyl-2-prop-2-enoxyphenyl)silane.
What is the SMILES notation for (2,7-ditert-butyl-9H-fluoren-9-yl)-diethyl-(3-methyl-2-prop-2-enoxyphenyl)silane?
The canonical SMILES for (2,7-ditert-butyl-9H-fluoren-9-yl)-diethyl-(3-methyl-2-prop-2-enoxyphenyl)silane is C=CCOc1c(C)cccc1[Si](CC)(CC)C1c2cc(C(C)(C)C)ccc2-c2ccc(C(C)(C)C)cc21.
What is the InChIKey of (2,7-ditert-butyl-9H-fluoren-9-yl)-diethyl-(3-methyl-2-prop-2-enoxyphenyl)silane?
The InChIKey is IZRLMWVXPLQGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H46OSi/c1-11-21-36-32-24(4)15-14-16-31(32)37(12-2,13-3)33-29-22-25(34(5,6)7)17-19-27(29)28-20-18-26(23-30(28)33)35(8,9)10/h11,14-20,22-23,33H,1,12-13,21H2,2-10H3.
What are the key properties of (2,7-ditert-butyl-9H-fluoren-9-yl)-diethyl-(3-methyl-2-prop-2-enoxyphenyl)silane?
(2,7-ditert-butyl-9H-fluoren-9-yl)-diethyl-(3-methyl-2-prop-2-enoxyphenyl)silane has a molecular weight of 510.84 g/mol, XLogP of 9.20, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,7-ditert-butyl-9H-fluoren-9-yl)-diethyl-(3-methyl-2-prop-2-enoxyphenyl)silane is sourced from PubChem (CID 69233636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).