triethoxy-[2-[(1R,3R,6S)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silane

C14H28O4Si — CID 99738442

IUPACtriethoxy-[2-[(1R,3R,6S)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silane
SMILESCCO[Si](CC[C@@H]1CC[C@@H]2O[C@@H]2C1)(OCC)OCC
InChIInChI=1S/C14H28O4Si/c1-4-15-19(16-5-2,17-6-3)10-9-12-7-8-13-14(11-12)18-13/h12-14H,4-11H2,1-3H3/t12-,13-,14+/m0/s1
InChIKeyUDUKMRHNZZLJRB-MELADBBJSA-N
MW288.46 g/mol
LogP2.99
Rot. Bonds9

About triethoxy-[2-[(1R,3R,6S)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silane

triethoxy-[2-[(1R,3R,6S)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silane (PubChem CID 99738442) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is triethoxy-[2-[(1R,3R,6S)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silane.

Molecular Properties

Compound Nametriethoxy-[2-[(1R,3R,6S)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silane
PubChem CID99738442
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Nametriethoxy-[2-[(1R,3R,6S)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silane
SMILESCCO[Si](CC[C@@H]1CC[C@@H]2O[C@@H]2C1)(OCC)OCC
InChIInChI=1S/C14H28O4Si/c1-4-15-19(16-5-2,17-6-3)10-9-12-7-8-13-14(11-12)18-13/h12-14H,4-11H2,1-3H3/t12-,13-,14+/m0/s1
InChIKeyUDUKMRHNZZLJRB-MELADBBJSA-N
XLogP2.99
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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(propyl)silane;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
CID 175326463
triethoxy-[[ethoxy-methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]methyl]silane
CID 140798704
3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl-tripropoxysilane
CID 21267597
diphenyl(3-triethoxysilylpropyl)phosphane;triethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
CID 160966529
bis[[dimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-dimethylsilane
CID 59882614
[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
CID 20793302
CID 20793302
trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane;3-trimethoxysilylpropane-1-thiol
CID 18692870
[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
3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl-tri(propan-2-yloxy)silane
CID 89156746

Frequently Asked Questions

What is the IUPAC name of triethoxy-[2-[(1R,3R,6S)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silane?
The IUPAC name of triethoxy-[2-[(1R,3R,6S)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silane (CID 99738442) is triethoxy-[2-[(1R,3R,6S)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silane.
What is the SMILES notation for triethoxy-[2-[(1R,3R,6S)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silane?
The canonical SMILES for triethoxy-[2-[(1R,3R,6S)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silane is CCO[Si](CC[C@@H]1CC[C@@H]2O[C@@H]2C1)(OCC)OCC.
What is the InChIKey of triethoxy-[2-[(1R,3R,6S)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silane?
The InChIKey is UDUKMRHNZZLJRB-MELADBBJSA-N. The full InChI is InChI=1S/C14H28O4Si/c1-4-15-19(16-5-2,17-6-3)10-9-12-7-8-13-14(11-12)18-13/h12-14H,4-11H2,1-3H3/t12-,13-,14+/m0/s1.
What are the key properties of triethoxy-[2-[(1R,3R,6S)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silane?
triethoxy-[2-[(1R,3R,6S)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silane has a molecular weight of 288.46 g/mol, XLogP of 2.99, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[2-[(1R,3R,6S)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silane is sourced from PubChem (CID 99738442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).