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

C22H38O3Si — CID 11810971

IUPACtert-butyl-[4-[2-(methoxymethoxy)ethyl]-2,4-bis(prop-2-enyl)cyclohexa-1,5-dien-1-yl]oxy-dimethylsilane
SMILESC=CCC1=C(O[Si](C)(C)C(C)(C)C)C=CC(CC=C)(CCOCOC)C1
InChIInChI=1S/C22H38O3Si/c1-9-11-19-17-22(13-10-2,15-16-24-18-23-6)14-12-20(19)25-26(7,8)21(3,4)5/h9-10,12,14H,1-2,11,13,15-18H2,3-8H3
InChIKeyTWONYJSEZZQECL-UHFFFAOYSA-N
MW378.63 g/mol
LogP6.37
Rot. Bonds11

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

tert-butyl-[4-[2-(methoxymethoxy)ethyl]-2,4-bis(prop-2-enyl)cyclohexa-1,5-dien-1-yl]oxy-dimethylsilane (PubChem CID 11810971) has the molecular formula C22H38O3Si and a molecular weight of 378.63 g/mol. Its IUPAC name is tert-butyl-[4-[2-(methoxymethoxy)ethyl]-2,4-bis(prop-2-enyl)cyclohexa-1,5-dien-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[4-[2-(methoxymethoxy)ethyl]-2,4-bis(prop-2-enyl)cyclohexa-1,5-dien-1-yl]oxy-dimethylsilane
PubChem CID11810971
Molecular FormulaC22H38O3Si
Molecular Weight378.63 g/mol
Exact Mass378.26
IUPAC Nametert-butyl-[4-[2-(methoxymethoxy)ethyl]-2,4-bis(prop-2-enyl)cyclohexa-1,5-dien-1-yl]oxy-dimethylsilane
SMILESC=CCC1=C(O[Si](C)(C)C(C)(C)C)C=CC(CC=C)(CCOCOC)C1
InChIInChI=1S/C22H38O3Si/c1-9-11-19-17-22(13-10-2,15-16-24-18-23-6)14-12-20(19)25-26(7,8)21(3,4)5/h9-10,12,14H,1-2,11,13,15-18H2,3-8H3
InChIKeyTWONYJSEZZQECL-UHFFFAOYSA-N
XLogP6.37
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.63
LogP ≤ 56.37
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
tert-butyl-[[(1Z)-1-[4-(methoxymethoxy)butan-2-ylidene]-7a-methyl-3,7-dihydro-2H-inden-4-yl]methoxy]-dimethylsilane
CID 139968512
tert-butyl-[[(1Z)-1-[4-(methoxymethoxy)butan-2-ylidene]-7a-methyl-6,7-dihydro-2H-inden-4-yl]methoxy]-dimethylsilane
CID 139968525
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
[(6Z)-6-(6,6-dimethoxyhexylidene)-2,2-dimethylcyclohexyl]oxy-tri(propan-2-yl)silane
CID 11597084
Tert-butyl-[4-(methoxymethoxymethyl)-2-methyl-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane
CID 11759561

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-[2-(methoxymethoxy)ethyl]-2,4-bis(prop-2-enyl)cyclohexa-1,5-dien-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[4-[2-(methoxymethoxy)ethyl]-2,4-bis(prop-2-enyl)cyclohexa-1,5-dien-1-yl]oxy-dimethylsilane (CID 11810971) is tert-butyl-[4-[2-(methoxymethoxy)ethyl]-2,4-bis(prop-2-enyl)cyclohexa-1,5-dien-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[4-[2-(methoxymethoxy)ethyl]-2,4-bis(prop-2-enyl)cyclohexa-1,5-dien-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[4-[2-(methoxymethoxy)ethyl]-2,4-bis(prop-2-enyl)cyclohexa-1,5-dien-1-yl]oxy-dimethylsilane is C=CCC1=C(O[Si](C)(C)C(C)(C)C)C=CC(CC=C)(CCOCOC)C1.
What is the InChIKey of tert-butyl-[4-[2-(methoxymethoxy)ethyl]-2,4-bis(prop-2-enyl)cyclohexa-1,5-dien-1-yl]oxy-dimethylsilane?
The InChIKey is TWONYJSEZZQECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O3Si/c1-9-11-19-17-22(13-10-2,15-16-24-18-23-6)14-12-20(19)25-26(7,8)21(3,4)5/h9-10,12,14H,1-2,11,13,15-18H2,3-8H3.
What are the key properties of tert-butyl-[4-[2-(methoxymethoxy)ethyl]-2,4-bis(prop-2-enyl)cyclohexa-1,5-dien-1-yl]oxy-dimethylsilane?
tert-butyl-[4-[2-(methoxymethoxy)ethyl]-2,4-bis(prop-2-enyl)cyclohexa-1,5-dien-1-yl]oxy-dimethylsilane has a molecular weight of 378.63 g/mol, XLogP of 6.37, 11 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]-2,4-bis(prop-2-enyl)cyclohexa-1,5-dien-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 11810971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).