triethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)hexyl]silane

C18H36O4Si — CID 164579765

IUPACtriethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)hexyl]silane
SMILESCCCCC(C[Si](OCC)(OCC)OCC)C1CCC2OC2C1
InChIInChI=1S/C18H36O4Si/c1-5-9-10-16(15-11-12-17-18(13-15)22-17)14-23(19-6-2,20-7-3)21-8-4/h15-18H,5-14H2,1-4H3
InChIKeyFCBBAFJXLNRAKM-UHFFFAOYSA-N
MW344.57 g/mol
LogP4.41
Rot. Bonds12

About triethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)hexyl]silane

triethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)hexyl]silane (PubChem CID 164579765) has the molecular formula C18H36O4Si and a molecular weight of 344.57 g/mol. Its IUPAC name is triethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)hexyl]silane.

Molecular Properties

Compound Nametriethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)hexyl]silane
PubChem CID164579765
Molecular FormulaC18H36O4Si
Molecular Weight344.57 g/mol
Exact Mass344.24
IUPAC Nametriethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)hexyl]silane
SMILESCCCCC(C[Si](OCC)(OCC)OCC)C1CCC2OC2C1
InChIInChI=1S/C18H36O4Si/c1-5-9-10-16(15-11-12-17-18(13-15)22-17)14-23(19-6-2,20-7-3)21-8-4/h15-18H,5-14H2,1-4H3
InChIKeyFCBBAFJXLNRAKM-UHFFFAOYSA-N
XLogP4.41
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.57
LogP ≤ 54.41
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

trioctoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)hexyl]silane
CID 175109790
triethoxy-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl]silane
CID 22169296
tributoxy-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl]silane
CID 22169291
3-[diethoxy(methyl)silyl]-1-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-1-ol
CID 150966310
3-[2-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)hexan-2-yloxy]hexyl]-7-oxabicyclo[4.1.0]heptane
CID 87897835
triethoxy-[2-[(1R,3R,6S)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silane
CID 99738442
3-[methyl(dipropoxy)silyl]-1-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-1-ol
CID 150572592
ethyl-methoxy-methyl-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)heptadecoxy]silane
CID 152577468
triethoxy(propyl)silane;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
CID 175326463
butyl-dimethyl-[[(1S,6R)-7-oxabicyclo[4.1.0]heptan-3-yl]oxy]silane
CID 87300821
bis(7-oxabicyclo[4.1.0]heptan-3-yl)methoxy-ethyl-methoxy-methylsilane
CID 151154534
triethoxy-[[ethoxy-methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]methyl]silane
CID 140798704

Frequently Asked Questions

What is the IUPAC name of triethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)hexyl]silane?
The IUPAC name of triethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)hexyl]silane (CID 164579765) is triethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)hexyl]silane.
What is the SMILES notation for triethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)hexyl]silane?
The canonical SMILES for triethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)hexyl]silane is CCCCC(C[Si](OCC)(OCC)OCC)C1CCC2OC2C1.
What is the InChIKey of triethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)hexyl]silane?
The InChIKey is FCBBAFJXLNRAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O4Si/c1-5-9-10-16(15-11-12-17-18(13-15)22-17)14-23(19-6-2,20-7-3)21-8-4/h15-18H,5-14H2,1-4H3.
What are the key properties of triethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)hexyl]silane?
triethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)hexyl]silane has a molecular weight of 344.57 g/mol, XLogP of 4.41, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)hexyl]silane is sourced from PubChem (CID 164579765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).