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

C19H34O3Si — CID 11759561

IUPACtert-butyl-[4-(methoxymethoxymethyl)-2-methyl-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane
SMILESC=CCC1(COCOC)C=CC(O[Si](C)(C)C(C)(C)C)=C(C)C1
InChIInChI=1S/C19H34O3Si/c1-9-11-19(14-21-15-20-6)12-10-17(16(2)13-19)22-23(7,8)18(3,4)5/h9-10,12H,1,11,13-15H2,2-8H3
InChIKeyJXQJAFMTUNLGBB-UHFFFAOYSA-N
MW338.56 g/mol
LogP5.43
Rot. Bonds8

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

tert-butyl-[4-(methoxymethoxymethyl)-2-methyl-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane (PubChem CID 11759561) has the molecular formula C19H34O3Si and a molecular weight of 338.56 g/mol. Its IUPAC name is tert-butyl-[4-(methoxymethoxymethyl)-2-methyl-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[4-(methoxymethoxymethyl)-2-methyl-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane
PubChem CID11759561
Molecular FormulaC19H34O3Si
Molecular Weight338.56 g/mol
Exact Mass338.23
IUPAC Nametert-butyl-[4-(methoxymethoxymethyl)-2-methyl-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane
SMILESC=CCC1(COCOC)C=CC(O[Si](C)(C)C(C)(C)C)=C(C)C1
InChIInChI=1S/C19H34O3Si/c1-9-11-19(14-21-15-20-6)12-10-17(16(2)13-19)22-23(7,8)18(3,4)5/h9-10,12H,1,11,13-15H2,2-8H3
InChIKeyJXQJAFMTUNLGBB-UHFFFAOYSA-N
XLogP5.43
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-(methoxymethoxymethyl)-2-methyl-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[4-(methoxymethoxymethyl)-2-methyl-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane (CID 11759561) is tert-butyl-[4-(methoxymethoxymethyl)-2-methyl-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[4-(methoxymethoxymethyl)-2-methyl-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[4-(methoxymethoxymethyl)-2-methyl-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)=C(C)C1.
What is the InChIKey of tert-butyl-[4-(methoxymethoxymethyl)-2-methyl-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane?
The InChIKey is JXQJAFMTUNLGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O3Si/c1-9-11-19(14-21-15-20-6)12-10-17(16(2)13-19)22-23(7,8)18(3,4)5/h9-10,12H,1,11,13-15H2,2-8H3.
What are the key properties of tert-butyl-[4-(methoxymethoxymethyl)-2-methyl-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane?
tert-butyl-[4-(methoxymethoxymethyl)-2-methyl-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane has a molecular weight of 338.56 g/mol, XLogP of 5.43, 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)-2-methyl-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 11759561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).