(1,2-dimethylcyclopenta-2,4-dien-1-yl)-(2-methoxy-5-methyl-3-phenylphenyl)-dimethylsilane

C23H28OSi — CID 139784592

IUPAC(1,2-dimethylcyclopenta-2,4-dien-1-yl)-(2-methoxy-5-methyl-3-phenylphenyl)-dimethylsilane
SMILESCOc1c(-c2ccccc2)cc(C)cc1[Si](C)(C)C1(C)C=CC=C1C
InChIInChI=1S/C23H28OSi/c1-17-15-20(19-12-8-7-9-13-19)22(24-4)21(16-17)25(5,6)23(3)14-10-11-18(23)2/h7-16H,1-6H3
InChIKeyGVZUMKOXJWUGHQ-UHFFFAOYSA-N
MW348.56 g/mol
LogP5.86
Rot. Bonds4

About (1,2-dimethylcyclopenta-2,4-dien-1-yl)-(2-methoxy-5-methyl-3-phenylphenyl)-dimethylsilane

(1,2-dimethylcyclopenta-2,4-dien-1-yl)-(2-methoxy-5-methyl-3-phenylphenyl)-dimethylsilane (PubChem CID 139784592) has the molecular formula C23H28OSi and a molecular weight of 348.56 g/mol. Its IUPAC name is (1,2-dimethylcyclopenta-2,4-dien-1-yl)-(2-methoxy-5-methyl-3-phenylphenyl)-dimethylsilane.

Molecular Properties

Compound Name(1,2-dimethylcyclopenta-2,4-dien-1-yl)-(2-methoxy-5-methyl-3-phenylphenyl)-dimethylsilane
PubChem CID139784592
Molecular FormulaC23H28OSi
Molecular Weight348.56 g/mol
Exact Mass348.19
IUPAC Name(1,2-dimethylcyclopenta-2,4-dien-1-yl)-(2-methoxy-5-methyl-3-phenylphenyl)-dimethylsilane
SMILESCOc1c(-c2ccccc2)cc(C)cc1[Si](C)(C)C1(C)C=CC=C1C
InChIInChI=1S/C23H28OSi/c1-17-15-20(19-12-8-7-9-13-19)22(24-4)21(16-17)25(5,6)23(3)14-10-11-18(23)2/h7-16H,1-6H3
InChIKeyGVZUMKOXJWUGHQ-UHFFFAOYSA-N
XLogP5.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.56
LogP ≤ 55.86
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 (1,2-dimethylcyclopenta-2,4-dien-1-yl)-(2-methoxy-5-methyl-3-phenylphenyl)-dimethylsilane?
The IUPAC name of (1,2-dimethylcyclopenta-2,4-dien-1-yl)-(2-methoxy-5-methyl-3-phenylphenyl)-dimethylsilane (CID 139784592) is (1,2-dimethylcyclopenta-2,4-dien-1-yl)-(2-methoxy-5-methyl-3-phenylphenyl)-dimethylsilane.
What is the SMILES notation for (1,2-dimethylcyclopenta-2,4-dien-1-yl)-(2-methoxy-5-methyl-3-phenylphenyl)-dimethylsilane?
The canonical SMILES for (1,2-dimethylcyclopenta-2,4-dien-1-yl)-(2-methoxy-5-methyl-3-phenylphenyl)-dimethylsilane is COc1c(-c2ccccc2)cc(C)cc1[Si](C)(C)C1(C)C=CC=C1C.
What is the InChIKey of (1,2-dimethylcyclopenta-2,4-dien-1-yl)-(2-methoxy-5-methyl-3-phenylphenyl)-dimethylsilane?
The InChIKey is GVZUMKOXJWUGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28OSi/c1-17-15-20(19-12-8-7-9-13-19)22(24-4)21(16-17)25(5,6)23(3)14-10-11-18(23)2/h7-16H,1-6H3.
What are the key properties of (1,2-dimethylcyclopenta-2,4-dien-1-yl)-(2-methoxy-5-methyl-3-phenylphenyl)-dimethylsilane?
(1,2-dimethylcyclopenta-2,4-dien-1-yl)-(2-methoxy-5-methyl-3-phenylphenyl)-dimethylsilane has a molecular weight of 348.56 g/mol, XLogP of 5.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dimethylcyclopenta-2,4-dien-1-yl)-(2-methoxy-5-methyl-3-phenylphenyl)-dimethylsilane is sourced from PubChem (CID 139784592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).