triethoxy-[[ethoxy-methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]methyl]silane

C18H38O5Si2 — CID 140798704

IUPACtriethoxy-[[ethoxy-methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]methyl]silane
SMILESCCO[Si](C)(CCC1CCC2OC2C1)C[Si](OCC)(OCC)OCC
InChIInChI=1S/C18H38O5Si2/c1-6-19-24(5,13-12-16-10-11-17-18(14-16)23-17)15-25(20-7-2,21-8-3)22-9-4/h16-18H,6-15H2,1-5H3
InChIKeyJPQDJHWTCGWJDI-UHFFFAOYSA-N
MW390.67 g/mol
LogP4.14
Rot. Bonds13

About triethoxy-[[ethoxy-methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]methyl]silane

triethoxy-[[ethoxy-methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]methyl]silane (PubChem CID 140798704) has the molecular formula C18H38O5Si2 and a molecular weight of 390.67 g/mol. Its IUPAC name is triethoxy-[[ethoxy-methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]methyl]silane.

Molecular Properties

Compound Nametriethoxy-[[ethoxy-methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]methyl]silane
PubChem CID140798704
Molecular FormulaC18H38O5Si2
Molecular Weight390.67 g/mol
Exact Mass390.23
IUPAC Nametriethoxy-[[ethoxy-methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]methyl]silane
SMILESCCO[Si](C)(CCC1CCC2OC2C1)C[Si](OCC)(OCC)OCC
InChIInChI=1S/C18H38O5Si2/c1-6-19-24(5,13-12-16-10-11-17-18(14-16)23-17)15-25(20-7-2,21-8-3)22-9-4/h16-18H,6-15H2,1-5H3
InChIKeyJPQDJHWTCGWJDI-UHFFFAOYSA-N
XLogP4.14
TPSA49.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.67
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

triethoxy-[2-[(1R,3R,6S)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silane
CID 99738442
triethoxy(propyl)silane;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
CID 175326463
3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl-tripropoxysilane
CID 21267597
[dimethyl-[2-[(1R,3R,6R)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silyl]oxy-dimethyl-[2-[(1R,3S,6S)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silane
CID 99774414
[dimethyl-[2-[(1R,3R,6R)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silyl]oxy-dimethyl-[2-[(1R,3S,6R)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silane
CID 99774411
[ethoxy-ethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl] acetate
CID 22292669
diethyl-methoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
CID 22292681
diphenyl(3-triethoxysilylpropyl)phosphane;triethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
CID 160966529
CID 20793302
CID 20793302
bis[[dimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-dimethylsilane
CID 59882614
3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl-tri(propan-2-yloxy)silane
CID 89156746
bis[[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-dimethylsilyl]oxy]-dimethylsilane
CID 102070616

Frequently Asked Questions

What is the IUPAC name of triethoxy-[[ethoxy-methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]methyl]silane?
The IUPAC name of triethoxy-[[ethoxy-methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]methyl]silane (CID 140798704) is triethoxy-[[ethoxy-methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]methyl]silane.
What is the SMILES notation for triethoxy-[[ethoxy-methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]methyl]silane?
The canonical SMILES for triethoxy-[[ethoxy-methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]methyl]silane is CCO[Si](C)(CCC1CCC2OC2C1)C[Si](OCC)(OCC)OCC.
What is the InChIKey of triethoxy-[[ethoxy-methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]methyl]silane?
The InChIKey is JPQDJHWTCGWJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O5Si2/c1-6-19-24(5,13-12-16-10-11-17-18(14-16)23-17)15-25(20-7-2,21-8-3)22-9-4/h16-18H,6-15H2,1-5H3.
What are the key properties of triethoxy-[[ethoxy-methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]methyl]silane?
triethoxy-[[ethoxy-methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]methyl]silane has a molecular weight of 390.67 g/mol, XLogP of 4.14, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[[ethoxy-methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]methyl]silane is sourced from PubChem (CID 140798704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).