3-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)oxan-3-yl]-7-oxabicyclo[4.1.0]heptane

C17H26O3 — CID 141079516

IUPAC3-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)oxan-3-yl]-7-oxabicyclo[4.1.0]heptane
SMILESC1COCC(C2CCC3OC3C2)(C2CCC3OC3C2)C1
InChIInChI=1S/C17H26O3/c1-6-17(10-18-7-1,11-2-4-13-15(8-11)19-13)12-3-5-14-16(9-12)20-14/h11-16H,1-10H2
InChIKeyONJXMEOGRSSBPF-UHFFFAOYSA-N
MW278.39 g/mol
LogP2.92
Rot. Bonds2

About 3-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)oxan-3-yl]-7-oxabicyclo[4.1.0]heptane

3-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)oxan-3-yl]-7-oxabicyclo[4.1.0]heptane (PubChem CID 141079516) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is 3-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)oxan-3-yl]-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name3-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)oxan-3-yl]-7-oxabicyclo[4.1.0]heptane
PubChem CID141079516
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name3-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)oxan-3-yl]-7-oxabicyclo[4.1.0]heptane
SMILESC1COCC(C2CCC3OC3C2)(C2CCC3OC3C2)C1
InChIInChI=1S/C17H26O3/c1-6-17(10-18-7-1,11-2-4-13-15(8-11)19-13)12-3-5-14-16(9-12)20-14/h11-16H,1-10H2
InChIKeyONJXMEOGRSSBPF-UHFFFAOYSA-N
XLogP2.92
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S,4S)-5-oxabicyclo[2.1.0]pentane
CID 98125749
2,2-diethyl-6,6-bis(7-oxabicyclo[4.1.0]heptan-3-yl)oxasilinane
CID 87523075
3-tert-butyl-3-cyclohexyloxane
CID 177073542
7-oxabicyclo[4.1.0]heptane;oxirane
CID 131984165
3,3-bis(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane;1,3-dioxane
CID 175340624
5,11-dioxatricyclo[8.1.0.04,6]undecane
CID 3319750
(1S,4S,6R,10R)-5,11-dioxatricyclo[8.1.0.04,6]undecane
CID 7098824
3-[4-(2-cyclohexyl-1-propylcyclohexyl)cyclohexyl]-7-oxabicyclo[4.1.0]heptane
CID 23158078
1,4-dioxane;7-oxabicyclo[4.1.0]heptane
CID 174406152
(1R,3S,5R,7S,12R,14S,17R,19S,21R,23S,28R,31S)-4,8,13,18,22,27,32-heptaoxaheptacyclo[17.13.0.03,17.05,14.07,12.021,31.023,28]dotriacontane
CID 101162206
1-spiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]-2-ylazetidine
CID 54754683
1-spiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]-2-ylpyrrolidine
CID 54754682

Frequently Asked Questions

What is the IUPAC name of 3-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)oxan-3-yl]-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of 3-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)oxan-3-yl]-7-oxabicyclo[4.1.0]heptane (CID 141079516) is 3-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)oxan-3-yl]-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 3-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)oxan-3-yl]-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 3-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)oxan-3-yl]-7-oxabicyclo[4.1.0]heptane is C1COCC(C2CCC3OC3C2)(C2CCC3OC3C2)C1.
What is the InChIKey of 3-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)oxan-3-yl]-7-oxabicyclo[4.1.0]heptane?
The InChIKey is ONJXMEOGRSSBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3/c1-6-17(10-18-7-1,11-2-4-13-15(8-11)19-13)12-3-5-14-16(9-12)20-14/h11-16H,1-10H2.
What are the key properties of 3-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)oxan-3-yl]-7-oxabicyclo[4.1.0]heptane?
3-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)oxan-3-yl]-7-oxabicyclo[4.1.0]heptane has a molecular weight of 278.39 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)oxan-3-yl]-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 141079516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).