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

C20H36O4Si — CID 11057696

IUPACtert-butyl-[2-methoxy-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)=C(OC)C1
InChIInChI=1S/C20H36O4Si/c1-9-11-20(13-14-23-16-21-5)12-10-17(18(15-20)22-6)24-25(7,8)19(2,3)4/h9-10,12H,1,11,13-16H2,2-8H3
InChIKeyDOLMCBWMMOQTJR-UHFFFAOYSA-N
MW368.59 g/mol
LogP5.40
Rot. Bonds10

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

tert-butyl-[2-methoxy-4-[2-(methoxymethoxy)ethyl]-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane (PubChem CID 11057696) has the molecular formula C20H36O4Si and a molecular weight of 368.59 g/mol. Its IUPAC name is tert-butyl-[2-methoxy-4-[2-(methoxymethoxy)ethyl]-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-methoxy-4-[2-(methoxymethoxy)ethyl]-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane
PubChem CID11057696
Molecular FormulaC20H36O4Si
Molecular Weight368.59 g/mol
Exact Mass368.24
IUPAC Nametert-butyl-[2-methoxy-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)=C(OC)C1
InChIInChI=1S/C20H36O4Si/c1-9-11-20(13-14-23-16-21-5)12-10-17(18(15-20)22-6)24-25(7,8)19(2,3)4/h9-10,12H,1,11,13-16H2,2-8H3
InChIKeyDOLMCBWMMOQTJR-UHFFFAOYSA-N
XLogP5.40
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.59
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[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-[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-[2-methoxy-4-[2-(methoxymethoxy)ethyl]-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[2-methoxy-4-[2-(methoxymethoxy)ethyl]-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane (CID 11057696) is tert-butyl-[2-methoxy-4-[2-(methoxymethoxy)ethyl]-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-methoxy-4-[2-(methoxymethoxy)ethyl]-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[2-methoxy-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)=C(OC)C1.
What is the InChIKey of tert-butyl-[2-methoxy-4-[2-(methoxymethoxy)ethyl]-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane?
The InChIKey is DOLMCBWMMOQTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O4Si/c1-9-11-20(13-14-23-16-21-5)12-10-17(18(15-20)22-6)24-25(7,8)19(2,3)4/h9-10,12H,1,11,13-16H2,2-8H3.
What are the key properties of tert-butyl-[2-methoxy-4-[2-(methoxymethoxy)ethyl]-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane?
tert-butyl-[2-methoxy-4-[2-(methoxymethoxy)ethyl]-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane has a molecular weight of 368.59 g/mol, XLogP of 5.40, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-methoxy-4-[2-(methoxymethoxy)ethyl]-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 11057696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).