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

C19H34O3Si — CID 10893131

IUPACtert-butyl-[4-[2-(methoxymethoxy)ethyl]-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane
SMILESC=CCC1(CCOCOC)C=CC(O[Si](C)(C)C(C)(C)C)=CC1
InChIInChI=1S/C19H34O3Si/c1-8-11-19(14-15-21-16-20-5)12-9-17(10-13-19)22-23(6,7)18(2,3)4/h8-10,12H,1,11,13-16H2,2-7H3
InChIKeyRHLAWLYVSRAEPI-UHFFFAOYSA-N
MW338.56 g/mol
LogP5.43
Rot. Bonds9

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

tert-butyl-[4-[2-(methoxymethoxy)ethyl]-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane (PubChem CID 10893131) has the molecular formula C19H34O3Si and a molecular weight of 338.56 g/mol. Its IUPAC name is tert-butyl-[4-[2-(methoxymethoxy)ethyl]-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[4-[2-(methoxymethoxy)ethyl]-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane
PubChem CID10893131
Molecular FormulaC19H34O3Si
Molecular Weight338.56 g/mol
Exact Mass338.23
IUPAC Nametert-butyl-[4-[2-(methoxymethoxy)ethyl]-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane
SMILESC=CCC1(CCOCOC)C=CC(O[Si](C)(C)C(C)(C)C)=CC1
InChIInChI=1S/C19H34O3Si/c1-8-11-19(14-15-21-16-20-5)12-9-17(10-13-19)22-23(6,7)18(2,3)4/h8-10,12H,1,11,13-16H2,2-7H3
InChIKeyRHLAWLYVSRAEPI-UHFFFAOYSA-N
XLogP5.43
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.56
LogP ≤ 55.43
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

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-[4-[2-(methoxymethoxy)ethyl]-2-methyl-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane
CID 10871891
Tert-butyl-[4-(methoxymethoxymethyl)-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane
CID 11023800
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-[2-(methoxymethoxy)ethyl]-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[4-[2-(methoxymethoxy)ethyl]-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane (CID 10893131) is tert-butyl-[4-[2-(methoxymethoxy)ethyl]-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[4-[2-(methoxymethoxy)ethyl]-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[4-[2-(methoxymethoxy)ethyl]-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane is C=CCC1(CCOCOC)C=CC(O[Si](C)(C)C(C)(C)C)=CC1.
What is the InChIKey of tert-butyl-[4-[2-(methoxymethoxy)ethyl]-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane?
The InChIKey is RHLAWLYVSRAEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O3Si/c1-8-11-19(14-15-21-16-20-5)12-9-17(10-13-19)22-23(6,7)18(2,3)4/h8-10,12H,1,11,13-16H2,2-7H3.
What are the key properties of tert-butyl-[4-[2-(methoxymethoxy)ethyl]-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane?
tert-butyl-[4-[2-(methoxymethoxy)ethyl]-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane has a molecular weight of 338.56 g/mol, XLogP of 5.43, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-[2-(methoxymethoxy)ethyl]-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 10893131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).