tert-butyl-[2-(2,2-dimethyl-1,3-dioxan-5-yl)-5-methylcyclohexa-1,4-dien-1-yl]oxy-dimethylsilane

C19H34O3Si — CID 102468563

IUPACtert-butyl-[2-(2,2-dimethyl-1,3-dioxan-5-yl)-5-methylcyclohexa-1,4-dien-1-yl]oxy-dimethylsilane
SMILESCC1=CCC(C2COC(C)(C)OC2)=C(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C19H34O3Si/c1-14-9-10-16(15-12-20-19(5,6)21-13-15)17(11-14)22-23(7,8)18(2,3)4/h9,15H,10-13H2,1-8H3
InChIKeyUTNYOYNNYVPCTJ-UHFFFAOYSA-N
MW338.56 g/mol
LogP5.40
Rot. Bonds3

About tert-butyl-[2-(2,2-dimethyl-1,3-dioxan-5-yl)-5-methylcyclohexa-1,4-dien-1-yl]oxy-dimethylsilane

tert-butyl-[2-(2,2-dimethyl-1,3-dioxan-5-yl)-5-methylcyclohexa-1,4-dien-1-yl]oxy-dimethylsilane (PubChem CID 102468563) has the molecular formula C19H34O3Si and a molecular weight of 338.56 g/mol. Its IUPAC name is tert-butyl-[2-(2,2-dimethyl-1,3-dioxan-5-yl)-5-methylcyclohexa-1,4-dien-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-(2,2-dimethyl-1,3-dioxan-5-yl)-5-methylcyclohexa-1,4-dien-1-yl]oxy-dimethylsilane
PubChem CID102468563
Molecular FormulaC19H34O3Si
Molecular Weight338.56 g/mol
Exact Mass338.23
IUPAC Nametert-butyl-[2-(2,2-dimethyl-1,3-dioxan-5-yl)-5-methylcyclohexa-1,4-dien-1-yl]oxy-dimethylsilane
SMILESCC1=CCC(C2COC(C)(C)OC2)=C(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C19H34O3Si/c1-14-9-10-16(15-12-20-19(5,6)21-13-15)17(11-14)22-23(7,8)18(2,3)4/h9,15H,10-13H2,1-8H3
InChIKeyUTNYOYNNYVPCTJ-UHFFFAOYSA-N
XLogP5.40
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.56
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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-[2-(2,2-dimethyl-1,3-dioxan-5-yl)-5-methylcyclohexa-1,4-dien-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[2-(2,2-dimethyl-1,3-dioxan-5-yl)-5-methylcyclohexa-1,4-dien-1-yl]oxy-dimethylsilane (CID 102468563) is tert-butyl-[2-(2,2-dimethyl-1,3-dioxan-5-yl)-5-methylcyclohexa-1,4-dien-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-(2,2-dimethyl-1,3-dioxan-5-yl)-5-methylcyclohexa-1,4-dien-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[2-(2,2-dimethyl-1,3-dioxan-5-yl)-5-methylcyclohexa-1,4-dien-1-yl]oxy-dimethylsilane is CC1=CCC(C2COC(C)(C)OC2)=C(O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of tert-butyl-[2-(2,2-dimethyl-1,3-dioxan-5-yl)-5-methylcyclohexa-1,4-dien-1-yl]oxy-dimethylsilane?
The InChIKey is UTNYOYNNYVPCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O3Si/c1-14-9-10-16(15-12-20-19(5,6)21-13-15)17(11-14)22-23(7,8)18(2,3)4/h9,15H,10-13H2,1-8H3.
What are the key properties of tert-butyl-[2-(2,2-dimethyl-1,3-dioxan-5-yl)-5-methylcyclohexa-1,4-dien-1-yl]oxy-dimethylsilane?
tert-butyl-[2-(2,2-dimethyl-1,3-dioxan-5-yl)-5-methylcyclohexa-1,4-dien-1-yl]oxy-dimethylsilane has a molecular weight of 338.56 g/mol, XLogP of 5.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-(2,2-dimethyl-1,3-dioxan-5-yl)-5-methylcyclohexa-1,4-dien-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 102468563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).