tert-butyl-[2-methoxy-5-methyl-3-[2-(3-methylcyclopenta-1,3-dien-1-yl)ethyl]phenyl]-dimethylsilane

C22H34OSi — CID 139964975

IUPACtert-butyl-[2-methoxy-5-methyl-3-[2-(3-methylcyclopenta-1,3-dien-1-yl)ethyl]phenyl]-dimethylsilane
SMILESCOc1c(CCC2=CC(C)=CC2)cc(C)cc1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H34OSi/c1-16-9-10-18(13-16)11-12-19-14-17(2)15-20(21(19)23-6)24(7,8)22(3,4)5/h9,13-15H,10-12H2,1-8H3
InChIKeyFUMMCAZHZZADOQ-UHFFFAOYSA-N
MW342.60 g/mol
LogP5.93
Rot. Bonds5

About tert-butyl-[2-methoxy-5-methyl-3-[2-(3-methylcyclopenta-1,3-dien-1-yl)ethyl]phenyl]-dimethylsilane

tert-butyl-[2-methoxy-5-methyl-3-[2-(3-methylcyclopenta-1,3-dien-1-yl)ethyl]phenyl]-dimethylsilane (PubChem CID 139964975) has the molecular formula C22H34OSi and a molecular weight of 342.60 g/mol. Its IUPAC name is tert-butyl-[2-methoxy-5-methyl-3-[2-(3-methylcyclopenta-1,3-dien-1-yl)ethyl]phenyl]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-methoxy-5-methyl-3-[2-(3-methylcyclopenta-1,3-dien-1-yl)ethyl]phenyl]-dimethylsilane
PubChem CID139964975
Molecular FormulaC22H34OSi
Molecular Weight342.60 g/mol
Exact Mass342.24
IUPAC Nametert-butyl-[2-methoxy-5-methyl-3-[2-(3-methylcyclopenta-1,3-dien-1-yl)ethyl]phenyl]-dimethylsilane
SMILESCOc1c(CCC2=CC(C)=CC2)cc(C)cc1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H34OSi/c1-16-9-10-18(13-16)11-12-19-14-17(2)15-20(21(19)23-6)24(7,8)22(3,4)5/h9,13-15H,10-12H2,1-8H3
InChIKeyFUMMCAZHZZADOQ-UHFFFAOYSA-N
XLogP5.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.60
LogP ≤ 55.93
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

1-tert-butyl-2,5-dimethoxy-3-[2-(3-methylcyclopenta-1,3-dien-1-yl)ethyl]benzene
CID 139965018
tert-butyl-[2-methoxy-5-methyl-3-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]phenyl]-dimethylsilane
CID 139965271
tert-butyl-[3-[2-(4-tert-butylcyclopenta-1,4-dien-1-yl)propan-2-yl]-5-methyl-2-prop-2-enoxyphenyl]-dimethylsilane
CID 18347534
(2-tert-butylcyclopenta-1,3-dien-1-yl)-(2-methoxy-5-methyl-3-phenylphenyl)-dimethylsilane
CID 18347641
2-(3-tert-butyl-2-methoxy-5-methylphenyl)-N-methylethanamine
CID 95452310
1-[(2-methoxy-3,5-dimethylphenyl)methyl-methylamino]-2-methylpropan-2-ol
CID 115137018
4-(3-tert-butyl-2-methoxy-5-methylphenyl)butan-1-amine
CID 95460977
1-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]piperidin-4-ol
CID 82486099
O-[2-(3-bromo-2-methoxy-5-methylphenyl)ethyl]hydroxylamine
CID 117403967
(2-methoxy-3,5-dimethylphenyl)-dimethyl-(2-trimethylsilylcyclopenta-1,3-dien-1-yl)silane
CID 18347709
4-[3-(1,1-difluoroethyl)-2-methoxy-5-methylphenyl]butan-1-amine
CID 117396648
N-[(3-tert-butyl-2-methoxy-5-methylphenyl)methyl]cyclobutanamine
CID 96678019

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-methoxy-5-methyl-3-[2-(3-methylcyclopenta-1,3-dien-1-yl)ethyl]phenyl]-dimethylsilane?
The IUPAC name of tert-butyl-[2-methoxy-5-methyl-3-[2-(3-methylcyclopenta-1,3-dien-1-yl)ethyl]phenyl]-dimethylsilane (CID 139964975) is tert-butyl-[2-methoxy-5-methyl-3-[2-(3-methylcyclopenta-1,3-dien-1-yl)ethyl]phenyl]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-methoxy-5-methyl-3-[2-(3-methylcyclopenta-1,3-dien-1-yl)ethyl]phenyl]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-methoxy-5-methyl-3-[2-(3-methylcyclopenta-1,3-dien-1-yl)ethyl]phenyl]-dimethylsilane is COc1c(CCC2=CC(C)=CC2)cc(C)cc1[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[2-methoxy-5-methyl-3-[2-(3-methylcyclopenta-1,3-dien-1-yl)ethyl]phenyl]-dimethylsilane?
The InChIKey is FUMMCAZHZZADOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34OSi/c1-16-9-10-18(13-16)11-12-19-14-17(2)15-20(21(19)23-6)24(7,8)22(3,4)5/h9,13-15H,10-12H2,1-8H3.
What are the key properties of tert-butyl-[2-methoxy-5-methyl-3-[2-(3-methylcyclopenta-1,3-dien-1-yl)ethyl]phenyl]-dimethylsilane?
tert-butyl-[2-methoxy-5-methyl-3-[2-(3-methylcyclopenta-1,3-dien-1-yl)ethyl]phenyl]-dimethylsilane has a molecular weight of 342.60 g/mol, XLogP of 5.93, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-methoxy-5-methyl-3-[2-(3-methylcyclopenta-1,3-dien-1-yl)ethyl]phenyl]-dimethylsilane is sourced from PubChem (CID 139964975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).