tert-butyl-[2-(methoxymethyl)-1,3-dimethylcyclobut-2-en-1-yl]oxy-dimethylsilane

C14H28O2Si — CID 100957879

IUPACtert-butyl-[2-(methoxymethyl)-1,3-dimethylcyclobut-2-en-1-yl]oxy-dimethylsilane
SMILESCOCC1=C(C)CC1(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O2Si/c1-11-9-14(5,12(11)10-15-6)16-17(7,8)13(2,3)4/h9-10H2,1-8H3
InChIKeyDALPMGODKWZGBO-UHFFFAOYSA-N
MW256.46 g/mol
LogP4.13
Rot. Bonds4

About tert-butyl-[2-(methoxymethyl)-1,3-dimethylcyclobut-2-en-1-yl]oxy-dimethylsilane

tert-butyl-[2-(methoxymethyl)-1,3-dimethylcyclobut-2-en-1-yl]oxy-dimethylsilane (PubChem CID 100957879) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is tert-butyl-[2-(methoxymethyl)-1,3-dimethylcyclobut-2-en-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-(methoxymethyl)-1,3-dimethylcyclobut-2-en-1-yl]oxy-dimethylsilane
PubChem CID100957879
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Nametert-butyl-[2-(methoxymethyl)-1,3-dimethylcyclobut-2-en-1-yl]oxy-dimethylsilane
SMILESCOCC1=C(C)CC1(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O2Si/c1-11-9-14(5,12(11)10-15-6)16-17(7,8)13(2,3)4/h9-10H2,1-8H3
InChIKeyDALPMGODKWZGBO-UHFFFAOYSA-N
XLogP4.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-Methoxy-2-(methoxymethyl)-1,3-dimethylcyclobutene
CID 100957875
[(3R,4S)-3-ethoxy-2-(methoxymethyl)-4-methylcyclobuten-1-yl]-trimethylsilane
CID 100960140
[(3R,4R)-3-ethoxy-2-(methoxymethyl)-4-methylcyclobuten-1-yl]-trimethylsilane
CID 100960148

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-(methoxymethyl)-1,3-dimethylcyclobut-2-en-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[2-(methoxymethyl)-1,3-dimethylcyclobut-2-en-1-yl]oxy-dimethylsilane (CID 100957879) is tert-butyl-[2-(methoxymethyl)-1,3-dimethylcyclobut-2-en-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-(methoxymethyl)-1,3-dimethylcyclobut-2-en-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[2-(methoxymethyl)-1,3-dimethylcyclobut-2-en-1-yl]oxy-dimethylsilane is COCC1=C(C)CC1(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[2-(methoxymethyl)-1,3-dimethylcyclobut-2-en-1-yl]oxy-dimethylsilane?
The InChIKey is DALPMGODKWZGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-11-9-14(5,12(11)10-15-6)16-17(7,8)13(2,3)4/h9-10H2,1-8H3.
What are the key properties of tert-butyl-[2-(methoxymethyl)-1,3-dimethylcyclobut-2-en-1-yl]oxy-dimethylsilane?
tert-butyl-[2-(methoxymethyl)-1,3-dimethylcyclobut-2-en-1-yl]oxy-dimethylsilane has a molecular weight of 256.46 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-(methoxymethyl)-1,3-dimethylcyclobut-2-en-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 100957879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).