3-[1-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)ethenoxy]ethenyl]-7-oxabicyclo[4.1.0]heptane

C16H22O3 — CID 87836302

IUPAC3-[1-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)ethenoxy]ethenyl]-7-oxabicyclo[4.1.0]heptane
SMILESC=C(OC(=C)C1CCC2OC2C1)C1CCC2OC2C1
InChIInChI=1S/C16H22O3/c1-9(11-3-5-13-15(7-11)18-13)17-10(2)12-4-6-14-16(8-12)19-14/h11-16H,1-8H2
InChIKeyRDNNMQVVKIDBGR-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.17
Rot. Bonds4

About 3-[1-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)ethenoxy]ethenyl]-7-oxabicyclo[4.1.0]heptane

3-[1-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)ethenoxy]ethenyl]-7-oxabicyclo[4.1.0]heptane (PubChem CID 87836302) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-[1-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)ethenoxy]ethenyl]-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name3-[1-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)ethenoxy]ethenyl]-7-oxabicyclo[4.1.0]heptane
PubChem CID87836302
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name3-[1-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)ethenoxy]ethenyl]-7-oxabicyclo[4.1.0]heptane
SMILESC=C(OC(=C)C1CCC2OC2C1)C1CCC2OC2C1
InChIInChI=1S/C16H22O3/c1-9(11-3-5-13-15(7-11)18-13)17-10(2)12-4-6-14-16(8-12)19-14/h11-16H,1-8H2
InChIKeyRDNNMQVVKIDBGR-UHFFFAOYSA-N
XLogP3.17
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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-[1-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)ethenoxy]ethenyl]-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of 3-[1-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)ethenoxy]ethenyl]-7-oxabicyclo[4.1.0]heptane (CID 87836302) is 3-[1-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)ethenoxy]ethenyl]-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 3-[1-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)ethenoxy]ethenyl]-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 3-[1-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)ethenoxy]ethenyl]-7-oxabicyclo[4.1.0]heptane is C=C(OC(=C)C1CCC2OC2C1)C1CCC2OC2C1.
What is the InChIKey of 3-[1-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)ethenoxy]ethenyl]-7-oxabicyclo[4.1.0]heptane?
The InChIKey is RDNNMQVVKIDBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-9(11-3-5-13-15(7-11)18-13)17-10(2)12-4-6-14-16(8-12)19-14/h11-16H,1-8H2.
What are the key properties of 3-[1-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)ethenoxy]ethenyl]-7-oxabicyclo[4.1.0]heptane?
3-[1-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)ethenoxy]ethenyl]-7-oxabicyclo[4.1.0]heptane has a molecular weight of 262.35 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)ethenoxy]ethenyl]-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 87836302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).