3-[2-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethoxy]ethyl]-7-oxabicyclo[4.1.0]heptane

C16H26O3 — CID 23111981

IUPAC3-[2-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethoxy]ethyl]-7-oxabicyclo[4.1.0]heptane
SMILESC(CC1CCC2OC2C1)OCCC1CCC2OC2C1
InChIInChI=1S/C16H26O3/c1-3-13-15(18-13)9-11(1)5-7-17-8-6-12-2-4-14-16(10-12)19-14/h11-16H,1-10H2
InChIKeyRHLZUIZIPFPFQA-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.92
Rot. Bonds6

About 3-[2-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethoxy]ethyl]-7-oxabicyclo[4.1.0]heptane

3-[2-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethoxy]ethyl]-7-oxabicyclo[4.1.0]heptane (PubChem CID 23111981) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 3-[2-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethoxy]ethyl]-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name3-[2-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethoxy]ethyl]-7-oxabicyclo[4.1.0]heptane
PubChem CID23111981
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name3-[2-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethoxy]ethyl]-7-oxabicyclo[4.1.0]heptane
SMILESC(CC1CCC2OC2C1)OCCC1CCC2OC2C1
InChIInChI=1S/C16H26O3/c1-3-13-15(18-13)9-11(1)5-7-17-8-6-12-2-4-14-16(10-12)19-14/h11-16H,1-10H2
InChIKeyRHLZUIZIPFPFQA-UHFFFAOYSA-N
XLogP2.92
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethoxy]ethyl]-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of 3-[2-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethoxy]ethyl]-7-oxabicyclo[4.1.0]heptane (CID 23111981) is 3-[2-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethoxy]ethyl]-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 3-[2-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethoxy]ethyl]-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 3-[2-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethoxy]ethyl]-7-oxabicyclo[4.1.0]heptane is C(CC1CCC2OC2C1)OCCC1CCC2OC2C1.
What is the InChIKey of 3-[2-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethoxy]ethyl]-7-oxabicyclo[4.1.0]heptane?
The InChIKey is RHLZUIZIPFPFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-3-13-15(18-13)9-11(1)5-7-17-8-6-12-2-4-14-16(10-12)19-14/h11-16H,1-10H2.
What are the key properties of 3-[2-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethoxy]ethyl]-7-oxabicyclo[4.1.0]heptane?
3-[2-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethoxy]ethyl]-7-oxabicyclo[4.1.0]heptane has a molecular weight of 266.38 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethoxy]ethyl]-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 23111981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).