6-(7-oxabicyclo[4.1.0]heptan-3-yl)-3-oxatricyclo[3.2.1.02,4]octane

C13H18O2 — CID 59281682

IUPAC6-(7-oxabicyclo[4.1.0]heptan-3-yl)-3-oxatricyclo[3.2.1.02,4]octane
SMILESC1CC2OC2CC1C1CC2CC1C1OC21
InChIInChI=1S/C13H18O2/c1-2-10-11(14-10)5-6(1)8-3-7-4-9(8)13-12(7)15-13/h6-13H,1-5H2
InChIKeyWYZZRVCUPDQRIX-UHFFFAOYSA-N
MW206.28 g/mol
LogP1.98
Rot. Bonds1

About 6-(7-oxabicyclo[4.1.0]heptan-3-yl)-3-oxatricyclo[3.2.1.02,4]octane

6-(7-oxabicyclo[4.1.0]heptan-3-yl)-3-oxatricyclo[3.2.1.02,4]octane (PubChem CID 59281682) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 6-(7-oxabicyclo[4.1.0]heptan-3-yl)-3-oxatricyclo[3.2.1.02,4]octane.

Molecular Properties

Compound Name6-(7-oxabicyclo[4.1.0]heptan-3-yl)-3-oxatricyclo[3.2.1.02,4]octane
PubChem CID59281682
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name6-(7-oxabicyclo[4.1.0]heptan-3-yl)-3-oxatricyclo[3.2.1.02,4]octane
SMILESC1CC2OC2CC1C1CC2CC1C1OC21
InChIInChI=1S/C13H18O2/c1-2-10-11(14-10)5-6(1)8-3-7-4-9(8)13-12(7)15-13/h6-13H,1-5H2
InChIKeyWYZZRVCUPDQRIX-UHFFFAOYSA-N
XLogP1.98
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopropyl-7-oxabicyclo[4.1.0]heptane
CID 88535344
3-chloro-4-(7-oxabicyclo[4.1.0]heptan-3-yl)-7-oxabicyclo[4.1.0]heptane
CID 59765976
3-(3-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptane
CID 19973707
(1R,2R,4R,5R)-3-oxatricyclo[3.2.1.02,4]octane
CID 98043746
2,4,6,8-tetramethyl-2,4,6-tris[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-8-[2-(3-oxatricyclo[3.2.1.02,4]octan-6-yl)ethyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 172516375
(1S,4S)-5-oxabicyclo[2.1.0]pentane
CID 98125749
3-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)-1,3-dioxan-5-yl]-7-oxabicyclo[4.1.0]heptane
CID 20724004
7-oxatetracyclo[6.4.0.02,6.05,10]dodecane
CID 596297
3,8-dioxatricyclo[3.2.1.02,4]octane
CID 15647432
3-(1,4-dioxan-2-yl)-7-oxabicyclo[4.1.0]heptane
CID 150634021
3-(7-oxabicyclo[4.1.0]heptan-3-yl)cyclohexan-1-ol
CID 89082378
11-oxatetracyclo[7.5.0.02,7.010,12]tetradecane
CID 141144427

Frequently Asked Questions

What is the IUPAC name of 6-(7-oxabicyclo[4.1.0]heptan-3-yl)-3-oxatricyclo[3.2.1.02,4]octane?
The IUPAC name of 6-(7-oxabicyclo[4.1.0]heptan-3-yl)-3-oxatricyclo[3.2.1.02,4]octane (CID 59281682) is 6-(7-oxabicyclo[4.1.0]heptan-3-yl)-3-oxatricyclo[3.2.1.02,4]octane.
What is the SMILES notation for 6-(7-oxabicyclo[4.1.0]heptan-3-yl)-3-oxatricyclo[3.2.1.02,4]octane?
The canonical SMILES for 6-(7-oxabicyclo[4.1.0]heptan-3-yl)-3-oxatricyclo[3.2.1.02,4]octane is C1CC2OC2CC1C1CC2CC1C1OC21.
What is the InChIKey of 6-(7-oxabicyclo[4.1.0]heptan-3-yl)-3-oxatricyclo[3.2.1.02,4]octane?
The InChIKey is WYZZRVCUPDQRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-2-10-11(14-10)5-6(1)8-3-7-4-9(8)13-12(7)15-13/h6-13H,1-5H2.
What are the key properties of 6-(7-oxabicyclo[4.1.0]heptan-3-yl)-3-oxatricyclo[3.2.1.02,4]octane?
6-(7-oxabicyclo[4.1.0]heptan-3-yl)-3-oxatricyclo[3.2.1.02,4]octane has a molecular weight of 206.28 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-oxabicyclo[4.1.0]heptan-3-yl)-3-oxatricyclo[3.2.1.02,4]octane is sourced from PubChem (CID 59281682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).