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

C22H34OSi — CID 18347736

IUPAC(2-tert-butylcyclopenta-1,3-dien-1-yl)-(3-tert-butyl-2-methoxyphenyl)-dimethylsilane
SMILESCOc1c(C(C)(C)C)cccc1[Si](C)(C)C1=C(C(C)(C)C)C=CC1
InChIInChI=1S/C22H34OSi/c1-21(2,3)16-12-10-14-18(16)24(8,9)19-15-11-13-17(20(19)23-7)22(4,5)6/h10-13,15H,14H2,1-9H3
InChIKeyHLHZQUDMLWUHDY-UHFFFAOYSA-N
MW342.60 g/mol
LogP5.75
Rot. Bonds3

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

(2-tert-butylcyclopenta-1,3-dien-1-yl)-(3-tert-butyl-2-methoxyphenyl)-dimethylsilane (PubChem CID 18347736) has the molecular formula C22H34OSi and a molecular weight of 342.60 g/mol. Its IUPAC name is (2-tert-butylcyclopenta-1,3-dien-1-yl)-(3-tert-butyl-2-methoxyphenyl)-dimethylsilane.

Molecular Properties

Compound Name(2-tert-butylcyclopenta-1,3-dien-1-yl)-(3-tert-butyl-2-methoxyphenyl)-dimethylsilane
PubChem CID18347736
Molecular FormulaC22H34OSi
Molecular Weight342.60 g/mol
Exact Mass342.24
IUPAC Name(2-tert-butylcyclopenta-1,3-dien-1-yl)-(3-tert-butyl-2-methoxyphenyl)-dimethylsilane
SMILESCOc1c(C(C)(C)C)cccc1[Si](C)(C)C1=C(C(C)(C)C)C=CC1
InChIInChI=1S/C22H34OSi/c1-21(2,3)16-12-10-14-18(16)24(8,9)19-15-11-13-17(20(19)23-7)22(4,5)6/h10-13,15H,14H2,1-9H3
InChIKeyHLHZQUDMLWUHDY-UHFFFAOYSA-N
XLogP5.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.60
LogP ≤ 55.75
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-tert-butyl-2-methoxyphenyl)-dimethylsilane?
The IUPAC name of (2-tert-butylcyclopenta-1,3-dien-1-yl)-(3-tert-butyl-2-methoxyphenyl)-dimethylsilane (CID 18347736) is (2-tert-butylcyclopenta-1,3-dien-1-yl)-(3-tert-butyl-2-methoxyphenyl)-dimethylsilane.
What is the SMILES notation for (2-tert-butylcyclopenta-1,3-dien-1-yl)-(3-tert-butyl-2-methoxyphenyl)-dimethylsilane?
The canonical SMILES for (2-tert-butylcyclopenta-1,3-dien-1-yl)-(3-tert-butyl-2-methoxyphenyl)-dimethylsilane is COc1c(C(C)(C)C)cccc1[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-tert-butyl-2-methoxyphenyl)-dimethylsilane?
The InChIKey is HLHZQUDMLWUHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34OSi/c1-21(2,3)16-12-10-14-18(16)24(8,9)19-15-11-13-17(20(19)23-7)22(4,5)6/h10-13,15H,14H2,1-9H3.
What are the key properties of (2-tert-butylcyclopenta-1,3-dien-1-yl)-(3-tert-butyl-2-methoxyphenyl)-dimethylsilane?
(2-tert-butylcyclopenta-1,3-dien-1-yl)-(3-tert-butyl-2-methoxyphenyl)-dimethylsilane has a molecular weight of 342.60 g/mol, XLogP of 5.75, 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-tert-butyl-2-methoxyphenyl)-dimethylsilane is sourced from PubChem (CID 18347736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).