[(3R,4S)-3-ethoxy-2-(methoxymethyl)-4-methylcyclobuten-1-yl]-trimethylsilane

C12H24O2Si — CID 100960140

IUPAC[(3R,4S)-3-ethoxy-2-(methoxymethyl)-4-methylcyclobuten-1-yl]-trimethylsilane
SMILESCCO[C@H]1C(COC)=C([Si](C)(C)C)[C@H]1C
InChIInChI=1S/C12H24O2Si/c1-7-14-11-9(2)12(15(4,5)6)10(11)8-13-3/h9,11H,7-8H2,1-6H3/t9-,11+/m0/s1
InChIKeyDIVQKOBELNDNSF-GXSJLCMTSA-N
MW228.41 g/mol
LogP2.86
Rot. Bonds5

About [(3R,4S)-3-ethoxy-2-(methoxymethyl)-4-methylcyclobuten-1-yl]-trimethylsilane

[(3R,4S)-3-ethoxy-2-(methoxymethyl)-4-methylcyclobuten-1-yl]-trimethylsilane (PubChem CID 100960140) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is [(3R,4S)-3-ethoxy-2-(methoxymethyl)-4-methylcyclobuten-1-yl]-trimethylsilane.

Molecular Properties

Compound Name[(3R,4S)-3-ethoxy-2-(methoxymethyl)-4-methylcyclobuten-1-yl]-trimethylsilane
PubChem CID100960140
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Name[(3R,4S)-3-ethoxy-2-(methoxymethyl)-4-methylcyclobuten-1-yl]-trimethylsilane
SMILESCCO[C@H]1C(COC)=C([Si](C)(C)C)[C@H]1C
InChIInChI=1S/C12H24O2Si/c1-7-14-11-9(2)12(15(4,5)6)10(11)8-13-3/h9,11H,7-8H2,1-6H3/t9-,11+/m0/s1
InChIKeyDIVQKOBELNDNSF-GXSJLCMTSA-N
XLogP2.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl-[2-(methoxymethyl)-1,3-dimethylcyclobut-2-en-1-yl]oxy-dimethylsilane
CID 100957879
[8-(Methoxymethyl)-2-oxabicyclo[4.2.0]oct-7-en-7-yl]-trimethylsilane
CID 100957890
[(3R,4R)-3-ethoxy-2-(methoxymethyl)-4-methylcyclobuten-1-yl]-trimethylsilane
CID 100960148

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-3-ethoxy-2-(methoxymethyl)-4-methylcyclobuten-1-yl]-trimethylsilane?
The IUPAC name of [(3R,4S)-3-ethoxy-2-(methoxymethyl)-4-methylcyclobuten-1-yl]-trimethylsilane (CID 100960140) is [(3R,4S)-3-ethoxy-2-(methoxymethyl)-4-methylcyclobuten-1-yl]-trimethylsilane.
What is the SMILES notation for [(3R,4S)-3-ethoxy-2-(methoxymethyl)-4-methylcyclobuten-1-yl]-trimethylsilane?
The canonical SMILES for [(3R,4S)-3-ethoxy-2-(methoxymethyl)-4-methylcyclobuten-1-yl]-trimethylsilane is CCO[C@H]1C(COC)=C([Si](C)(C)C)[C@H]1C.
What is the InChIKey of [(3R,4S)-3-ethoxy-2-(methoxymethyl)-4-methylcyclobuten-1-yl]-trimethylsilane?
The InChIKey is DIVQKOBELNDNSF-GXSJLCMTSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-7-14-11-9(2)12(15(4,5)6)10(11)8-13-3/h9,11H,7-8H2,1-6H3/t9-,11+/m0/s1.
What are the key properties of [(3R,4S)-3-ethoxy-2-(methoxymethyl)-4-methylcyclobuten-1-yl]-trimethylsilane?
[(3R,4S)-3-ethoxy-2-(methoxymethyl)-4-methylcyclobuten-1-yl]-trimethylsilane has a molecular weight of 228.41 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-3-ethoxy-2-(methoxymethyl)-4-methylcyclobuten-1-yl]-trimethylsilane is sourced from PubChem (CID 100960140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).