[(3R)-3-(1,3-benzodioxol-5-ylmethyl)cyclobuten-1-yl]oxy-triethylsilane

C18H26O3Si — CID 11723441

IUPAC[(3R)-3-(1,3-benzodioxol-5-ylmethyl)cyclobuten-1-yl]oxy-triethylsilane
SMILESCC[Si](CC)(CC)OC1=C[C@H](Cc2ccc3c(c2)OCO3)C1
InChIInChI=1S/C18H26O3Si/c1-4-22(5-2,6-3)21-16-10-15(11-16)9-14-7-8-17-18(12-14)20-13-19-17/h7-8,10,12,15H,4-6,9,11,13H2,1-3H3/t15-/m0/s1
InChIKeyRXARYCLHNHNCGL-HNNXBMFYSA-N
MW318.49 g/mol
LogP4.88
Rot. Bonds7

About [(3R)-3-(1,3-benzodioxol-5-ylmethyl)cyclobuten-1-yl]oxy-triethylsilane

[(3R)-3-(1,3-benzodioxol-5-ylmethyl)cyclobuten-1-yl]oxy-triethylsilane (PubChem CID 11723441) has the molecular formula C18H26O3Si and a molecular weight of 318.49 g/mol. Its IUPAC name is [(3R)-3-(1,3-benzodioxol-5-ylmethyl)cyclobuten-1-yl]oxy-triethylsilane.

Molecular Properties

Compound Name[(3R)-3-(1,3-benzodioxol-5-ylmethyl)cyclobuten-1-yl]oxy-triethylsilane
PubChem CID11723441
Molecular FormulaC18H26O3Si
Molecular Weight318.49 g/mol
Exact Mass318.17
IUPAC Name[(3R)-3-(1,3-benzodioxol-5-ylmethyl)cyclobuten-1-yl]oxy-triethylsilane
SMILESCC[Si](CC)(CC)OC1=C[C@H](Cc2ccc3c(c2)OCO3)C1
InChIInChI=1S/C18H26O3Si/c1-4-22(5-2,6-3)21-16-10-15(11-16)9-14-7-8-17-18(12-14)20-13-19-17/h7-8,10,12,15H,4-6,9,11,13H2,1-3H3/t15-/m0/s1
InChIKeyRXARYCLHNHNCGL-HNNXBMFYSA-N
XLogP4.88
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(5-ethoxyoxolan-3-yl)methyl]-1,3-benzodioxole
CID 11096999
cis-(1R,2S)-2-(1,3-benzodioxol-5-ylmethyl)cyclohexan-1-amine
CID 10633393
ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxylate
CID 11644804
5-(2-ethoxyethyl)-1,3-benzodioxole
CID 122402641
5-(propoxymethyl)-1,3-benzodioxole
CID 10262036
1,3-benzodioxol-5-ylmethyl(trifluoro)boranuide
CID 138967378
5-[[(2S,3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-2-ethoxyoxolan-3-yl]methyl]-1,3-benzodioxole
CID 162953579
5-ethyl-1,3-benzodioxole;N-methylethanamine
CID 158103316
acetylene;5-ethyl-1,3-benzodioxole;2-methylpropane
CID 142810291
4-(1,3-benzodioxol-5-ylmethyl)piperidine
CID 17039498
5-[[(3S,4S)-4-(1,3-benzodioxol-5-ylmethyl)-2-methoxyoxolan-3-yl]methyl]-1,3-benzodioxole
CID 59800034
O-(1,3-benzodioxol-5-ylmethyl)hydroxylamine
CID 22419624

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(1,3-benzodioxol-5-ylmethyl)cyclobuten-1-yl]oxy-triethylsilane?
The IUPAC name of [(3R)-3-(1,3-benzodioxol-5-ylmethyl)cyclobuten-1-yl]oxy-triethylsilane (CID 11723441) is [(3R)-3-(1,3-benzodioxol-5-ylmethyl)cyclobuten-1-yl]oxy-triethylsilane.
What is the SMILES notation for [(3R)-3-(1,3-benzodioxol-5-ylmethyl)cyclobuten-1-yl]oxy-triethylsilane?
The canonical SMILES for [(3R)-3-(1,3-benzodioxol-5-ylmethyl)cyclobuten-1-yl]oxy-triethylsilane is CC[Si](CC)(CC)OC1=C[C@H](Cc2ccc3c(c2)OCO3)C1.
What is the InChIKey of [(3R)-3-(1,3-benzodioxol-5-ylmethyl)cyclobuten-1-yl]oxy-triethylsilane?
The InChIKey is RXARYCLHNHNCGL-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H26O3Si/c1-4-22(5-2,6-3)21-16-10-15(11-16)9-14-7-8-17-18(12-14)20-13-19-17/h7-8,10,12,15H,4-6,9,11,13H2,1-3H3/t15-/m0/s1.
What are the key properties of [(3R)-3-(1,3-benzodioxol-5-ylmethyl)cyclobuten-1-yl]oxy-triethylsilane?
[(3R)-3-(1,3-benzodioxol-5-ylmethyl)cyclobuten-1-yl]oxy-triethylsilane has a molecular weight of 318.49 g/mol, XLogP of 4.88, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(1,3-benzodioxol-5-ylmethyl)cyclobuten-1-yl]oxy-triethylsilane is sourced from PubChem (CID 11723441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).