ethoxy-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)pentan-3-yl]silane

C13H26O2Si — CID 151850692

IUPACethoxy-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)pentan-3-yl]silane
SMILESCCO[SiH2]C(CC)(CC)C1CCC2OC2C1
InChIInChI=1S/C13H26O2Si/c1-4-13(5-2,16-14-6-3)10-7-8-11-12(9-10)15-11/h10-12H,4-9,16H2,1-3H3
InChIKeySIPRIZDJZFHFES-UHFFFAOYSA-N
MW242.43 g/mol
LogP2.65
Rot. Bonds6

About ethoxy-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)pentan-3-yl]silane

ethoxy-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)pentan-3-yl]silane (PubChem CID 151850692) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is ethoxy-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)pentan-3-yl]silane.

Molecular Properties

Compound Nameethoxy-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)pentan-3-yl]silane
PubChem CID151850692
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Nameethoxy-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)pentan-3-yl]silane
SMILESCCO[SiH2]C(CC)(CC)C1CCC2OC2C1
InChIInChI=1S/C13H26O2Si/c1-4-13(5-2,16-14-6-3)10-7-8-11-12(9-10)15-11/h10-12H,4-9,16H2,1-3H3
InChIKeySIPRIZDJZFHFES-UHFFFAOYSA-N
XLogP2.65
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

[2-methoxy-2-(7-oxabicyclo[4.1.0]heptan-3-yl)butoxy]-di(propan-2-yl)silane
CID 173147235
dimethoxy-methyl-[tris(7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]silane
CID 162215767
[2-hydroxy-4-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)pentan-3-yl]cyclohexyl] acetate
CID 87540070
3-(ethoxymethyl)-7-oxabicyclo[4.1.0]heptane
CID 23517822
ethoxy(tricyclopentylmethyl)silane
CID 175450814
diethoxy(7-oxabicyclo[4.1.0]heptan-3-yl)silane
CID 123519545
ethyl (1S,3S,6R)-7-oxabicyclo[4.1.0]heptane-3-carboxylate
CID 57416186
3-[(3-ethoxycyclohexyl)methyl]-7-oxabicyclo[4.1.0]heptane
CID 142638254
(1S,4S)-5-oxabicyclo[2.1.0]pentane
CID 98125749
6-methoxy-5,5-bis(7-oxabicyclo[4.1.0]heptan-3-yl)-6-oxohexanoic acid
CID 87874183
butyl-dimethyl-[[(1S,6R)-7-oxabicyclo[4.1.0]heptan-3-yl]oxy]silane
CID 87300821
triethoxy-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl]silane
CID 22169296

Frequently Asked Questions

What is the IUPAC name of ethoxy-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)pentan-3-yl]silane?
The IUPAC name of ethoxy-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)pentan-3-yl]silane (CID 151850692) is ethoxy-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)pentan-3-yl]silane.
What is the SMILES notation for ethoxy-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)pentan-3-yl]silane?
The canonical SMILES for ethoxy-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)pentan-3-yl]silane is CCO[SiH2]C(CC)(CC)C1CCC2OC2C1.
What is the InChIKey of ethoxy-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)pentan-3-yl]silane?
The InChIKey is SIPRIZDJZFHFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-4-13(5-2,16-14-6-3)10-7-8-11-12(9-10)15-11/h10-12H,4-9,16H2,1-3H3.
What are the key properties of ethoxy-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)pentan-3-yl]silane?
ethoxy-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)pentan-3-yl]silane has a molecular weight of 242.43 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)pentan-3-yl]silane is sourced from PubChem (CID 151850692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).