(2-tert-butylcyclopenta-1,3-dien-1-yl)-(3,5-ditert-butyl-2-methoxyphenyl)-dimethylsilane

C26H42OSi — CID 18347345

IUPAC(2-tert-butylcyclopenta-1,3-dien-1-yl)-(3,5-ditert-butyl-2-methoxyphenyl)-dimethylsilane
SMILESCOc1c(C(C)(C)C)cc(C(C)(C)C)cc1[Si](C)(C)C1=C(C(C)(C)C)C=CC1
InChIInChI=1S/C26H42OSi/c1-24(2,3)18-16-20(26(7,8)9)23(27-10)22(17-18)28(11,12)21-15-13-14-19(21)25(4,5)6/h13-14,16-17H,15H2,1-12H3
InChIKeyPZHRFZTUWNXKLS-UHFFFAOYSA-N
MW398.71 g/mol
LogP7.05
Rot. Bonds3

About (2-tert-butylcyclopenta-1,3-dien-1-yl)-(3,5-ditert-butyl-2-methoxyphenyl)-dimethylsilane

(2-tert-butylcyclopenta-1,3-dien-1-yl)-(3,5-ditert-butyl-2-methoxyphenyl)-dimethylsilane (PubChem CID 18347345) has the molecular formula C26H42OSi and a molecular weight of 398.71 g/mol. Its IUPAC name is (2-tert-butylcyclopenta-1,3-dien-1-yl)-(3,5-ditert-butyl-2-methoxyphenyl)-dimethylsilane.

Molecular Properties

Compound Name(2-tert-butylcyclopenta-1,3-dien-1-yl)-(3,5-ditert-butyl-2-methoxyphenyl)-dimethylsilane
PubChem CID18347345
Molecular FormulaC26H42OSi
Molecular Weight398.71 g/mol
Exact Mass398.30
IUPAC Name(2-tert-butylcyclopenta-1,3-dien-1-yl)-(3,5-ditert-butyl-2-methoxyphenyl)-dimethylsilane
SMILESCOc1c(C(C)(C)C)cc(C(C)(C)C)cc1[Si](C)(C)C1=C(C(C)(C)C)C=CC1
InChIInChI=1S/C26H42OSi/c1-24(2,3)18-16-20(26(7,8)9)23(27-10)22(17-18)28(11,12)21-15-13-14-19(21)25(4,5)6/h13-14,16-17H,15H2,1-12H3
InChIKeyPZHRFZTUWNXKLS-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 (2-tert-butylcyclopenta-1,3-dien-1-yl)-(3,5-ditert-butyl-2-methoxyphenyl)-dimethylsilane?
The IUPAC name of (2-tert-butylcyclopenta-1,3-dien-1-yl)-(3,5-ditert-butyl-2-methoxyphenyl)-dimethylsilane (CID 18347345) is (2-tert-butylcyclopenta-1,3-dien-1-yl)-(3,5-ditert-butyl-2-methoxyphenyl)-dimethylsilane.
What is the SMILES notation for (2-tert-butylcyclopenta-1,3-dien-1-yl)-(3,5-ditert-butyl-2-methoxyphenyl)-dimethylsilane?
The canonical SMILES for (2-tert-butylcyclopenta-1,3-dien-1-yl)-(3,5-ditert-butyl-2-methoxyphenyl)-dimethylsilane is COc1c(C(C)(C)C)cc(C(C)(C)C)cc1[Si](C)(C)C1=C(C(C)(C)C)C=CC1.
What is the InChIKey of (2-tert-butylcyclopenta-1,3-dien-1-yl)-(3,5-ditert-butyl-2-methoxyphenyl)-dimethylsilane?
The InChIKey is PZHRFZTUWNXKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42OSi/c1-24(2,3)18-16-20(26(7,8)9)23(27-10)22(17-18)28(11,12)21-15-13-14-19(21)25(4,5)6/h13-14,16-17H,15H2,1-12H3.
What are the key properties of (2-tert-butylcyclopenta-1,3-dien-1-yl)-(3,5-ditert-butyl-2-methoxyphenyl)-dimethylsilane?
(2-tert-butylcyclopenta-1,3-dien-1-yl)-(3,5-ditert-butyl-2-methoxyphenyl)-dimethylsilane 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 (2-tert-butylcyclopenta-1,3-dien-1-yl)-(3,5-ditert-butyl-2-methoxyphenyl)-dimethylsilane is sourced from PubChem (CID 18347345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).