(3-tert-butyl-2-methoxy-5-methylphenyl)-dimethyl-(2,3,3,4-tetramethylcyclopenten-1-yl)silane

C23H38OSi — CID 150340216

IUPAC(3-tert-butyl-2-methoxy-5-methylphenyl)-dimethyl-(2,3,3,4-tetramethylcyclopenten-1-yl)silane
SMILESCOc1c(C(C)(C)C)cc(C)cc1[Si](C)(C)C1=C(C)C(C)(C)C(C)C1
InChIInChI=1S/C23H38OSi/c1-15-12-18(22(4,5)6)21(24-9)20(13-15)25(10,11)19-14-16(2)23(7,8)17(19)3/h12-13,16H,14H2,1-11H3
InChIKeyGROAGLUEKVSWKB-UHFFFAOYSA-N
MW358.64 g/mol
LogP6.14
Rot. Bonds3

About (3-tert-butyl-2-methoxy-5-methylphenyl)-dimethyl-(2,3,3,4-tetramethylcyclopenten-1-yl)silane

(3-tert-butyl-2-methoxy-5-methylphenyl)-dimethyl-(2,3,3,4-tetramethylcyclopenten-1-yl)silane (PubChem CID 150340216) has the molecular formula C23H38OSi and a molecular weight of 358.64 g/mol. Its IUPAC name is (3-tert-butyl-2-methoxy-5-methylphenyl)-dimethyl-(2,3,3,4-tetramethylcyclopenten-1-yl)silane.

Molecular Properties

Compound Name(3-tert-butyl-2-methoxy-5-methylphenyl)-dimethyl-(2,3,3,4-tetramethylcyclopenten-1-yl)silane
PubChem CID150340216
Molecular FormulaC23H38OSi
Molecular Weight358.64 g/mol
Exact Mass358.27
IUPAC Name(3-tert-butyl-2-methoxy-5-methylphenyl)-dimethyl-(2,3,3,4-tetramethylcyclopenten-1-yl)silane
SMILESCOc1c(C(C)(C)C)cc(C)cc1[Si](C)(C)C1=C(C)C(C)(C)C(C)C1
InChIInChI=1S/C23H38OSi/c1-15-12-18(22(4,5)6)21(24-9)20(13-15)25(10,11)19-14-16(2)23(7,8)17(19)3/h12-13,16H,14H2,1-11H3
InChIKeyGROAGLUEKVSWKB-UHFFFAOYSA-N
XLogP6.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.64
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3-tert-butyl-2-methoxy-5-methylphenyl)-dimethyl-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)silane
CID 87557202
(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
2-(3-tert-butyl-2-methoxy-5-methylphenyl)-1,3-dioxolane
CID 83959269
(3-tert-butyl-2-methoxy-5-methylphenyl)-diethyl-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)silane
CID 87556801
2-[2-(3-tert-butyl-2-methoxy-5-methylphenyl)butyl]-3-ethyloxirane
CID 83942992
1-[(3-tert-butyl-2-methoxy-5-methylphenyl)methyl]cyclopropan-1-ol
CID 117374422
1-(3-tert-butyl-2-methoxy-5-methylphenyl)sulfonylpyrrolidine
CID 110758574
chloro-(2,6-ditert-butyl-4-methylphenoxy)-dimethylsilane
CID 13254327
1,3-ditert-butyl-2-dimethylphosphoryloxy-5-methylbenzene
CID 20731092
3,9-bis(2,6-ditert-butyl-4-methylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
CID 3601357

Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-2-methoxy-5-methylphenyl)-dimethyl-(2,3,3,4-tetramethylcyclopenten-1-yl)silane?
The IUPAC name of (3-tert-butyl-2-methoxy-5-methylphenyl)-dimethyl-(2,3,3,4-tetramethylcyclopenten-1-yl)silane (CID 150340216) is (3-tert-butyl-2-methoxy-5-methylphenyl)-dimethyl-(2,3,3,4-tetramethylcyclopenten-1-yl)silane.
What is the SMILES notation for (3-tert-butyl-2-methoxy-5-methylphenyl)-dimethyl-(2,3,3,4-tetramethylcyclopenten-1-yl)silane?
The canonical SMILES for (3-tert-butyl-2-methoxy-5-methylphenyl)-dimethyl-(2,3,3,4-tetramethylcyclopenten-1-yl)silane is COc1c(C(C)(C)C)cc(C)cc1[Si](C)(C)C1=C(C)C(C)(C)C(C)C1.
What is the InChIKey of (3-tert-butyl-2-methoxy-5-methylphenyl)-dimethyl-(2,3,3,4-tetramethylcyclopenten-1-yl)silane?
The InChIKey is GROAGLUEKVSWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38OSi/c1-15-12-18(22(4,5)6)21(24-9)20(13-15)25(10,11)19-14-16(2)23(7,8)17(19)3/h12-13,16H,14H2,1-11H3.
What are the key properties of (3-tert-butyl-2-methoxy-5-methylphenyl)-dimethyl-(2,3,3,4-tetramethylcyclopenten-1-yl)silane?
(3-tert-butyl-2-methoxy-5-methylphenyl)-dimethyl-(2,3,3,4-tetramethylcyclopenten-1-yl)silane has a molecular weight of 358.64 g/mol, XLogP of 6.14, 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-(2,3,3,4-tetramethylcyclopenten-1-yl)silane is sourced from PubChem (CID 150340216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).