(3-tert-butyl-2-methoxy-5-methylphenyl)-dimethyl-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)silane

C22H34OSi — CID 87557202

IUPAC(3-tert-butyl-2-methoxy-5-methylphenyl)-dimethyl-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)silane
SMILESCOc1c(C(C)(C)C)cc(C)cc1[Si](C)(C)C1=C(C)C(C)=CC1C
InChIInChI=1S/C22H34OSi/c1-14-11-18(22(5,6)7)20(23-8)19(12-14)24(9,10)21-16(3)13-15(2)17(21)4/h11-13,16H,1-10H3
InChIKeyWAZGOTWCYXJMHO-UHFFFAOYSA-N
MW342.60 g/mol
LogP5.67
Rot. Bonds3

About (3-tert-butyl-2-methoxy-5-methylphenyl)-dimethyl-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)silane

(3-tert-butyl-2-methoxy-5-methylphenyl)-dimethyl-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)silane (PubChem CID 87557202) has the molecular formula C22H34OSi and a molecular weight of 342.60 g/mol. Its IUPAC name is (3-tert-butyl-2-methoxy-5-methylphenyl)-dimethyl-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)silane.

Molecular Properties

Compound Name(3-tert-butyl-2-methoxy-5-methylphenyl)-dimethyl-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)silane
PubChem CID87557202
Molecular FormulaC22H34OSi
Molecular Weight342.60 g/mol
Exact Mass342.24
IUPAC Name(3-tert-butyl-2-methoxy-5-methylphenyl)-dimethyl-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)silane
SMILESCOc1c(C(C)(C)C)cc(C)cc1[Si](C)(C)C1=C(C)C(C)=CC1C
InChIInChI=1S/C22H34OSi/c1-14-11-18(22(5,6)7)20(23-8)19(12-14)24(9,10)21-16(3)13-15(2)17(21)4/h11-13,16H,1-10H3
InChIKeyWAZGOTWCYXJMHO-UHFFFAOYSA-N
XLogP5.67
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 ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (3-tert-butyl-2-methoxy-5-methylphenyl)-dimethyl-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)silane with MolForge

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Related Compounds

(3-tert-butyl-2-methoxy-5-methylphenyl)-diethyl-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)silane
CID 87556801
(3-tert-butyl-2-methoxy-5-methylphenyl)-dimethyl-(2,3,3,4-tetramethylcyclopenten-1-yl)silane
CID 150340216
(3-tert-butyl-2-methoxy-5-methylphenyl)-cyclopenta-2,4-dien-1-yl-dimethylsilane
CID 87556435
(3-tert-butyl-2-methoxy-5-methylphenyl)-diethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 87556260
(3-tert-butyl-2-methoxy-5-methylphenyl)-cyclopenta-2,4-dien-1-yl-diethylsilane
CID 87556760
chloro-(2,6-ditert-butyl-4-methylphenoxy)-dimethylsilane
CID 13254327
(3-tert-butyl-5-chloro-2-methoxyphenyl)-chloro-dimethylsilane
CID 18347391
2-(3-tert-butyl-2-methoxy-5-methylphenyl)-1,3-dioxolane
CID 83959269
2-(3-tert-butyl-2-methoxy-5-methylphenyl)-2-methylpropan-1-ol
CID 82297608
1-tert-butyl-3-[2-(4-tert-butylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2-methoxy-5-methylbenzene
CID 68742471
2-[2-(3-tert-butyl-2-methoxy-5-methylphenyl)butyl]-3-ethyloxirane
CID 83942992
(2-methoxy-3,5-dimethylphenyl)-dimethyl-(2,3,4,5-tetramethylcyclopentyl)silane
CID 72502399

Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-2-methoxy-5-methylphenyl)-dimethyl-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)silane?
The IUPAC name of (3-tert-butyl-2-methoxy-5-methylphenyl)-dimethyl-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)silane (CID 87557202) is (3-tert-butyl-2-methoxy-5-methylphenyl)-dimethyl-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)silane.
What is the SMILES notation for (3-tert-butyl-2-methoxy-5-methylphenyl)-dimethyl-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)silane?
The canonical SMILES for (3-tert-butyl-2-methoxy-5-methylphenyl)-dimethyl-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)silane is COc1c(C(C)(C)C)cc(C)cc1[Si](C)(C)C1=C(C)C(C)=CC1C.
What is the InChIKey of (3-tert-butyl-2-methoxy-5-methylphenyl)-dimethyl-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)silane?
The InChIKey is WAZGOTWCYXJMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34OSi/c1-14-11-18(22(5,6)7)20(23-8)19(12-14)24(9,10)21-16(3)13-15(2)17(21)4/h11-13,16H,1-10H3.
What are the key properties of (3-tert-butyl-2-methoxy-5-methylphenyl)-dimethyl-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)silane?
(3-tert-butyl-2-methoxy-5-methylphenyl)-dimethyl-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)silane has a molecular weight of 342.60 g/mol, XLogP of 5.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-2-methoxy-5-methylphenyl)-dimethyl-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)silane is sourced from PubChem (CID 87557202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).