(3-tert-butyl-2,5-dimethoxyphenyl)-cyclopenta-1,3-dien-1-yl-diethylsilane

C21H32O2Si — CID 68743959

IUPAC(3-tert-butyl-2,5-dimethoxyphenyl)-cyclopenta-1,3-dien-1-yl-diethylsilane
SMILESCC[Si](CC)(C1=CC=CC1)c1cc(OC)cc(C(C)(C)C)c1OC
InChIInChI=1S/C21H32O2Si/c1-8-24(9-2,17-12-10-11-13-17)19-15-16(22-6)14-18(20(19)23-7)21(3,4)5/h10-12,14-15H,8-9,13H2,1-7H3
InChIKeyURVIKCNNXASSER-UHFFFAOYSA-N
MW344.57 g/mol
LogP5.12
Rot. Bonds6

About (3-tert-butyl-2,5-dimethoxyphenyl)-cyclopenta-1,3-dien-1-yl-diethylsilane

(3-tert-butyl-2,5-dimethoxyphenyl)-cyclopenta-1,3-dien-1-yl-diethylsilane (PubChem CID 68743959) has the molecular formula C21H32O2Si and a molecular weight of 344.57 g/mol. Its IUPAC name is (3-tert-butyl-2,5-dimethoxyphenyl)-cyclopenta-1,3-dien-1-yl-diethylsilane.

Molecular Properties

Compound Name(3-tert-butyl-2,5-dimethoxyphenyl)-cyclopenta-1,3-dien-1-yl-diethylsilane
PubChem CID68743959
Molecular FormulaC21H32O2Si
Molecular Weight344.57 g/mol
Exact Mass344.22
IUPAC Name(3-tert-butyl-2,5-dimethoxyphenyl)-cyclopenta-1,3-dien-1-yl-diethylsilane
SMILESCC[Si](CC)(C1=CC=CC1)c1cc(OC)cc(C(C)(C)C)c1OC
InChIInChI=1S/C21H32O2Si/c1-8-24(9-2,17-12-10-11-13-17)19-15-16(22-6)14-18(20(19)23-7)21(3,4)5/h10-12,14-15H,8-9,13H2,1-7H3
InChIKeyURVIKCNNXASSER-UHFFFAOYSA-N
XLogP5.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.57
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-2,5-dimethoxyphenyl)-cyclopenta-1,3-dien-1-yl-diethylsilane?
The IUPAC name of (3-tert-butyl-2,5-dimethoxyphenyl)-cyclopenta-1,3-dien-1-yl-diethylsilane (CID 68743959) is (3-tert-butyl-2,5-dimethoxyphenyl)-cyclopenta-1,3-dien-1-yl-diethylsilane.
What is the SMILES notation for (3-tert-butyl-2,5-dimethoxyphenyl)-cyclopenta-1,3-dien-1-yl-diethylsilane?
The canonical SMILES for (3-tert-butyl-2,5-dimethoxyphenyl)-cyclopenta-1,3-dien-1-yl-diethylsilane is CC[Si](CC)(C1=CC=CC1)c1cc(OC)cc(C(C)(C)C)c1OC.
What is the InChIKey of (3-tert-butyl-2,5-dimethoxyphenyl)-cyclopenta-1,3-dien-1-yl-diethylsilane?
The InChIKey is URVIKCNNXASSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32O2Si/c1-8-24(9-2,17-12-10-11-13-17)19-15-16(22-6)14-18(20(19)23-7)21(3,4)5/h10-12,14-15H,8-9,13H2,1-7H3.
What are the key properties of (3-tert-butyl-2,5-dimethoxyphenyl)-cyclopenta-1,3-dien-1-yl-diethylsilane?
(3-tert-butyl-2,5-dimethoxyphenyl)-cyclopenta-1,3-dien-1-yl-diethylsilane has a molecular weight of 344.57 g/mol, XLogP of 5.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-2,5-dimethoxyphenyl)-cyclopenta-1,3-dien-1-yl-diethylsilane is sourced from PubChem (CID 68743959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).