(2-methoxy-5-methyl-3-phenylphenyl)-dimethyl-[2-(2-methylpropyl)cyclopenta-1,3-dien-1-yl]silane

C25H32OSi — CID 139784555

IUPAC(2-methoxy-5-methyl-3-phenylphenyl)-dimethyl-[2-(2-methylpropyl)cyclopenta-1,3-dien-1-yl]silane
SMILESCOc1c(-c2ccccc2)cc(C)cc1[Si](C)(C)C1=C(CC(C)C)C=CC1
InChIInChI=1S/C25H32OSi/c1-18(2)15-21-13-10-14-23(21)27(5,6)24-17-19(3)16-22(25(24)26-4)20-11-8-7-9-12-20/h7-13,16-18H,14-15H2,1-6H3
InChIKeyBWBZBWWYSOVVJE-UHFFFAOYSA-N
MW376.62 g/mol
LogP6.43
Rot. Bonds6

About (2-methoxy-5-methyl-3-phenylphenyl)-dimethyl-[2-(2-methylpropyl)cyclopenta-1,3-dien-1-yl]silane

(2-methoxy-5-methyl-3-phenylphenyl)-dimethyl-[2-(2-methylpropyl)cyclopenta-1,3-dien-1-yl]silane (PubChem CID 139784555) has the molecular formula C25H32OSi and a molecular weight of 376.62 g/mol. Its IUPAC name is (2-methoxy-5-methyl-3-phenylphenyl)-dimethyl-[2-(2-methylpropyl)cyclopenta-1,3-dien-1-yl]silane.

Molecular Properties

Compound Name(2-methoxy-5-methyl-3-phenylphenyl)-dimethyl-[2-(2-methylpropyl)cyclopenta-1,3-dien-1-yl]silane
PubChem CID139784555
Molecular FormulaC25H32OSi
Molecular Weight376.62 g/mol
Exact Mass376.22
IUPAC Name(2-methoxy-5-methyl-3-phenylphenyl)-dimethyl-[2-(2-methylpropyl)cyclopenta-1,3-dien-1-yl]silane
SMILESCOc1c(-c2ccccc2)cc(C)cc1[Si](C)(C)C1=C(CC(C)C)C=CC1
InChIInChI=1S/C25H32OSi/c1-18(2)15-21-13-10-14-23(21)27(5,6)24-17-19(3)16-22(25(24)26-4)20-11-8-7-9-12-20/h7-13,16-18H,14-15H2,1-6H3
InChIKeyBWBZBWWYSOVVJE-UHFFFAOYSA-N
XLogP6.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.62
LogP ≤ 56.43
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-methoxy-5-methyl-3-phenylphenyl)-dimethyl-[2-(2-methylpropyl)cyclopenta-1,3-dien-1-yl]silane?
The IUPAC name of (2-methoxy-5-methyl-3-phenylphenyl)-dimethyl-[2-(2-methylpropyl)cyclopenta-1,3-dien-1-yl]silane (CID 139784555) is (2-methoxy-5-methyl-3-phenylphenyl)-dimethyl-[2-(2-methylpropyl)cyclopenta-1,3-dien-1-yl]silane.
What is the SMILES notation for (2-methoxy-5-methyl-3-phenylphenyl)-dimethyl-[2-(2-methylpropyl)cyclopenta-1,3-dien-1-yl]silane?
The canonical SMILES for (2-methoxy-5-methyl-3-phenylphenyl)-dimethyl-[2-(2-methylpropyl)cyclopenta-1,3-dien-1-yl]silane is COc1c(-c2ccccc2)cc(C)cc1[Si](C)(C)C1=C(CC(C)C)C=CC1.
What is the InChIKey of (2-methoxy-5-methyl-3-phenylphenyl)-dimethyl-[2-(2-methylpropyl)cyclopenta-1,3-dien-1-yl]silane?
The InChIKey is BWBZBWWYSOVVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32OSi/c1-18(2)15-21-13-10-14-23(21)27(5,6)24-17-19(3)16-22(25(24)26-4)20-11-8-7-9-12-20/h7-13,16-18H,14-15H2,1-6H3.
What are the key properties of (2-methoxy-5-methyl-3-phenylphenyl)-dimethyl-[2-(2-methylpropyl)cyclopenta-1,3-dien-1-yl]silane?
(2-methoxy-5-methyl-3-phenylphenyl)-dimethyl-[2-(2-methylpropyl)cyclopenta-1,3-dien-1-yl]silane has a molecular weight of 376.62 g/mol, XLogP of 6.43, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-5-methyl-3-phenylphenyl)-dimethyl-[2-(2-methylpropyl)cyclopenta-1,3-dien-1-yl]silane is sourced from PubChem (CID 139784555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).