(3-tert-butyl-5-chloro-2-methoxyphenyl)-(9H-fluoren-9-yl)-dimethylsilane

C26H29ClOSi — CID 18347434

IUPAC(3-tert-butyl-5-chloro-2-methoxyphenyl)-(9H-fluoren-9-yl)-dimethylsilane
SMILESCOc1c(C(C)(C)C)cc(Cl)cc1[Si](C)(C)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H29ClOSi/c1-26(2,3)22-15-17(27)16-23(24(22)28-4)29(5,6)25-20-13-9-7-11-18(20)19-12-8-10-14-21(19)25/h7-16,25H,1-6H3
InChIKeyQQGOBWSBRJJSCZ-UHFFFAOYSA-N
MW421.06 g/mol
LogP6.91
Rot. Bonds3

About (3-tert-butyl-5-chloro-2-methoxyphenyl)-(9H-fluoren-9-yl)-dimethylsilane

(3-tert-butyl-5-chloro-2-methoxyphenyl)-(9H-fluoren-9-yl)-dimethylsilane (PubChem CID 18347434) has the molecular formula C26H29ClOSi and a molecular weight of 421.06 g/mol. Its IUPAC name is (3-tert-butyl-5-chloro-2-methoxyphenyl)-(9H-fluoren-9-yl)-dimethylsilane.

Molecular Properties

Compound Name(3-tert-butyl-5-chloro-2-methoxyphenyl)-(9H-fluoren-9-yl)-dimethylsilane
PubChem CID18347434
Molecular FormulaC26H29ClOSi
Molecular Weight421.06 g/mol
Exact Mass420.17
IUPAC Name(3-tert-butyl-5-chloro-2-methoxyphenyl)-(9H-fluoren-9-yl)-dimethylsilane
SMILESCOc1c(C(C)(C)C)cc(Cl)cc1[Si](C)(C)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H29ClOSi/c1-26(2,3)22-15-17(27)16-23(24(22)28-4)29(5,6)25-20-13-9-7-11-18(20)19-12-8-10-14-21(19)25/h7-16,25H,1-6H3
InChIKeyQQGOBWSBRJJSCZ-UHFFFAOYSA-N
XLogP6.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.06
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-5-chloro-2-methoxyphenyl)-(9H-fluoren-9-yl)-dimethylsilane?
The IUPAC name of (3-tert-butyl-5-chloro-2-methoxyphenyl)-(9H-fluoren-9-yl)-dimethylsilane (CID 18347434) is (3-tert-butyl-5-chloro-2-methoxyphenyl)-(9H-fluoren-9-yl)-dimethylsilane.
What is the SMILES notation for (3-tert-butyl-5-chloro-2-methoxyphenyl)-(9H-fluoren-9-yl)-dimethylsilane?
The canonical SMILES for (3-tert-butyl-5-chloro-2-methoxyphenyl)-(9H-fluoren-9-yl)-dimethylsilane is COc1c(C(C)(C)C)cc(Cl)cc1[Si](C)(C)C1c2ccccc2-c2ccccc21.
What is the InChIKey of (3-tert-butyl-5-chloro-2-methoxyphenyl)-(9H-fluoren-9-yl)-dimethylsilane?
The InChIKey is QQGOBWSBRJJSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClOSi/c1-26(2,3)22-15-17(27)16-23(24(22)28-4)29(5,6)25-20-13-9-7-11-18(20)19-12-8-10-14-21(19)25/h7-16,25H,1-6H3.
What are the key properties of (3-tert-butyl-5-chloro-2-methoxyphenyl)-(9H-fluoren-9-yl)-dimethylsilane?
(3-tert-butyl-5-chloro-2-methoxyphenyl)-(9H-fluoren-9-yl)-dimethylsilane has a molecular weight of 421.06 g/mol, XLogP of 6.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-5-chloro-2-methoxyphenyl)-(9H-fluoren-9-yl)-dimethylsilane is sourced from PubChem (CID 18347434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).