(3,5-ditert-butyl-2-methoxyphenyl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane

C26H42OSi — CID 18347420

IUPAC(3,5-ditert-butyl-2-methoxyphenyl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
SMILESCOc1c(C(C)(C)C)cc(C(C)(C)C)cc1[Si](C)(C)C1=C(C)C(C)=C(C)C1C
InChIInChI=1S/C26H42OSi/c1-16-17(2)19(4)24(18(16)3)28(12,13)22-15-20(25(5,6)7)14-21(23(22)27-11)26(8,9)10/h14-15,18H,1-13H3
InChIKeyVADJJFUBOFWDDE-UHFFFAOYSA-N
MW398.71 g/mol
LogP7.05
Rot. Bonds3

About (3,5-ditert-butyl-2-methoxyphenyl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane

(3,5-ditert-butyl-2-methoxyphenyl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane (PubChem CID 18347420) has the molecular formula C26H42OSi and a molecular weight of 398.71 g/mol. Its IUPAC name is (3,5-ditert-butyl-2-methoxyphenyl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane.

Molecular Properties

Compound Name(3,5-ditert-butyl-2-methoxyphenyl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
PubChem CID18347420
Molecular FormulaC26H42OSi
Molecular Weight398.71 g/mol
Exact Mass398.30
IUPAC Name(3,5-ditert-butyl-2-methoxyphenyl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
SMILESCOc1c(C(C)(C)C)cc(C(C)(C)C)cc1[Si](C)(C)C1=C(C)C(C)=C(C)C1C
InChIInChI=1S/C26H42OSi/c1-16-17(2)19(4)24(18(16)3)28(12,13)22-15-20(25(5,6)7)14-21(23(22)27-11)26(8,9)10/h14-15,18H,1-13H3
InChIKeyVADJJFUBOFWDDE-UHFFFAOYSA-N
XLogP7.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.71
LogP ≤ 57.05
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 (3,5-ditert-butyl-2-methoxyphenyl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
The IUPAC name of (3,5-ditert-butyl-2-methoxyphenyl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane (CID 18347420) is (3,5-ditert-butyl-2-methoxyphenyl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane.
What is the SMILES notation for (3,5-ditert-butyl-2-methoxyphenyl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
The canonical SMILES for (3,5-ditert-butyl-2-methoxyphenyl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane is COc1c(C(C)(C)C)cc(C(C)(C)C)cc1[Si](C)(C)C1=C(C)C(C)=C(C)C1C.
What is the InChIKey of (3,5-ditert-butyl-2-methoxyphenyl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
The InChIKey is VADJJFUBOFWDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42OSi/c1-16-17(2)19(4)24(18(16)3)28(12,13)22-15-20(25(5,6)7)14-21(23(22)27-11)26(8,9)10/h14-15,18H,1-13H3.
What are the key properties of (3,5-ditert-butyl-2-methoxyphenyl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
(3,5-ditert-butyl-2-methoxyphenyl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane has a molecular weight of 398.71 g/mol, XLogP of 7.05, 3 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-methoxyphenyl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane is sourced from PubChem (CID 18347420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).