tert-butyl-[4-(methoxymethoxymethyl)-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane

C18H32O3Si — CID 11023800

IUPACtert-butyl-[4-(methoxymethoxymethyl)-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane
SMILESC=CCC1(COCOC)C=CC(O[Si](C)(C)C(C)(C)C)=CC1
InChIInChI=1S/C18H32O3Si/c1-8-11-18(14-20-15-19-5)12-9-16(10-13-18)21-22(6,7)17(2,3)4/h8-10,12H,1,11,13-15H2,2-7H3
InChIKeyPEMCDKKKTIUORM-UHFFFAOYSA-N
MW324.54 g/mol
LogP5.03
Rot. Bonds8

About tert-butyl-[4-(methoxymethoxymethyl)-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane

tert-butyl-[4-(methoxymethoxymethyl)-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane (PubChem CID 11023800) has the molecular formula C18H32O3Si and a molecular weight of 324.54 g/mol. Its IUPAC name is tert-butyl-[4-(methoxymethoxymethyl)-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[4-(methoxymethoxymethyl)-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane
PubChem CID11023800
Molecular FormulaC18H32O3Si
Molecular Weight324.54 g/mol
Exact Mass324.21
IUPAC Nametert-butyl-[4-(methoxymethoxymethyl)-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane
SMILESC=CCC1(COCOC)C=CC(O[Si](C)(C)C(C)(C)C)=CC1
InChIInChI=1S/C18H32O3Si/c1-8-11-18(14-20-15-19-5)12-9-16(10-13-18)21-22(6,7)17(2,3)4/h8-10,12H,1,11,13-15H2,2-7H3
InChIKeyPEMCDKKKTIUORM-UHFFFAOYSA-N
XLogP5.03
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.54
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Tert-butyl-[4-[2-(methoxymethoxy)ethyl]-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane
CID 10893131
trimethyl-[2-[[(1R)-1-prop-2-ynyl-4-tri(propan-2-yl)silyloxycyclohexa-2,4-dien-1-yl]methoxymethoxy]ethyl]silane
CID 24808688
triethyl-[[(11S)-3,3,8,10-tetramethyl-11-[(E)-pent-3-en-2-yl]-2,4-dioxaspiro[5.5]undeca-7,9-dien-9-yl]oxy]silane
CID 134945438
triethyl-[[(11S)-3,3,8,10-tetramethyl-11-pent-3-en-2-yl-2,4-dioxaspiro[5.5]undeca-7,9-dien-9-yl]oxy]silane
CID 135028286
tert-butyl-[[(1Z)-1-[4-(methoxymethoxy)butan-2-ylidene]-7a-methyl-3,7-dihydro-2H-inden-4-yl]methoxy]-dimethylsilane
CID 139968512
Tert-butyl-[4-[2-(methoxymethoxy)ethyl]-2-methyl-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane
CID 10871891
Tert-butyl-[2-methoxy-4-[2-(methoxymethoxy)ethyl]-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane
CID 11057696
Tert-butyl-dimethyl-[4-prop-2-enyl-4-(2-trimethylsilylethoxymethoxy)cyclohexa-1,5-dien-1-yl]oxysilane
CID 11143763
Tert-butyl-[4-(methoxymethoxymethyl)-2-methyl-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane
CID 11759561
Tert-butyl-[4-[2-(methoxymethoxy)ethyl]-2,4-bis(prop-2-enyl)cyclohexa-1,5-dien-1-yl]oxy-dimethylsilane
CID 11810971

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-(methoxymethoxymethyl)-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[4-(methoxymethoxymethyl)-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane (CID 11023800) is tert-butyl-[4-(methoxymethoxymethyl)-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[4-(methoxymethoxymethyl)-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[4-(methoxymethoxymethyl)-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane is C=CCC1(COCOC)C=CC(O[Si](C)(C)C(C)(C)C)=CC1.
What is the InChIKey of tert-butyl-[4-(methoxymethoxymethyl)-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane?
The InChIKey is PEMCDKKKTIUORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O3Si/c1-8-11-18(14-20-15-19-5)12-9-16(10-13-18)21-22(6,7)17(2,3)4/h8-10,12H,1,11,13-15H2,2-7H3.
What are the key properties of tert-butyl-[4-(methoxymethoxymethyl)-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane?
tert-butyl-[4-(methoxymethoxymethyl)-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane has a molecular weight of 324.54 g/mol, XLogP of 5.03, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-(methoxymethoxymethyl)-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 11023800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).