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

C26H42OSi — CID 139784554

IUPAC(2-butylcyclopenta-1,3-dien-1-yl)-(3,5-ditert-butyl-2-methoxyphenyl)-dimethylsilane
SMILESCCCCC1=C([Si](C)(C)c2cc(C(C)(C)C)cc(C(C)(C)C)c2OC)CC=C1
InChIInChI=1S/C26H42OSi/c1-11-12-14-19-15-13-16-22(19)28(9,10)23-18-20(25(2,3)4)17-21(24(23)27-8)26(5,6)7/h13,15,17-18H,11-12,14,16H2,1-10H3
InChIKeyRDBHBIUCBXDFES-UHFFFAOYSA-N
MW398.71 g/mol
LogP7.19
Rot. Bonds6

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

(2-butylcyclopenta-1,3-dien-1-yl)-(3,5-ditert-butyl-2-methoxyphenyl)-dimethylsilane (PubChem CID 139784554) has the molecular formula C26H42OSi and a molecular weight of 398.71 g/mol. Its IUPAC name is (2-butylcyclopenta-1,3-dien-1-yl)-(3,5-ditert-butyl-2-methoxyphenyl)-dimethylsilane.

Molecular Properties

Compound Name(2-butylcyclopenta-1,3-dien-1-yl)-(3,5-ditert-butyl-2-methoxyphenyl)-dimethylsilane
PubChem CID139784554
Molecular FormulaC26H42OSi
Molecular Weight398.71 g/mol
Exact Mass398.30
IUPAC Name(2-butylcyclopenta-1,3-dien-1-yl)-(3,5-ditert-butyl-2-methoxyphenyl)-dimethylsilane
SMILESCCCCC1=C([Si](C)(C)c2cc(C(C)(C)C)cc(C(C)(C)C)c2OC)CC=C1
InChIInChI=1S/C26H42OSi/c1-11-12-14-19-15-13-16-22(19)28(9,10)23-18-20(25(2,3)4)17-21(24(23)27-8)26(5,6)7/h13,15,17-18H,11-12,14,16H2,1-10H3
InChIKeyRDBHBIUCBXDFES-UHFFFAOYSA-N
XLogP7.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.71
LogP ≤ 57.19
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-butylcyclopenta-1,3-dien-1-yl)-(3,5-ditert-butyl-2-methoxyphenyl)-dimethylsilane?
The IUPAC name of (2-butylcyclopenta-1,3-dien-1-yl)-(3,5-ditert-butyl-2-methoxyphenyl)-dimethylsilane (CID 139784554) is (2-butylcyclopenta-1,3-dien-1-yl)-(3,5-ditert-butyl-2-methoxyphenyl)-dimethylsilane.
What is the SMILES notation for (2-butylcyclopenta-1,3-dien-1-yl)-(3,5-ditert-butyl-2-methoxyphenyl)-dimethylsilane?
The canonical SMILES for (2-butylcyclopenta-1,3-dien-1-yl)-(3,5-ditert-butyl-2-methoxyphenyl)-dimethylsilane is CCCCC1=C([Si](C)(C)c2cc(C(C)(C)C)cc(C(C)(C)C)c2OC)CC=C1.
What is the InChIKey of (2-butylcyclopenta-1,3-dien-1-yl)-(3,5-ditert-butyl-2-methoxyphenyl)-dimethylsilane?
The InChIKey is RDBHBIUCBXDFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42OSi/c1-11-12-14-19-15-13-16-22(19)28(9,10)23-18-20(25(2,3)4)17-21(24(23)27-8)26(5,6)7/h13,15,17-18H,11-12,14,16H2,1-10H3.
What are the key properties of (2-butylcyclopenta-1,3-dien-1-yl)-(3,5-ditert-butyl-2-methoxyphenyl)-dimethylsilane?
(2-butylcyclopenta-1,3-dien-1-yl)-(3,5-ditert-butyl-2-methoxyphenyl)-dimethylsilane has a molecular weight of 398.71 g/mol, XLogP of 7.19, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butylcyclopenta-1,3-dien-1-yl)-(3,5-ditert-butyl-2-methoxyphenyl)-dimethylsilane is sourced from PubChem (CID 139784554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).