3-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)-1,3-dioxan-5-yl]-7-oxabicyclo[4.1.0]heptane

C16H24O4 — CID 20724004

IUPAC3-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)-1,3-dioxan-5-yl]-7-oxabicyclo[4.1.0]heptane
SMILESC1CC2OC2CC1C1COC(C2CCC3OC3C2)OC1
InChIInChI=1S/C16H24O4/c1-3-12-14(19-12)5-9(1)11-7-17-16(18-8-11)10-2-4-13-15(6-10)20-13/h9-16H,1-8H2
InChIKeyIJUVMGPZIADWRM-UHFFFAOYSA-N
MW280.36 g/mol
LogP2.11
Rot. Bonds2

About 3-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)-1,3-dioxan-5-yl]-7-oxabicyclo[4.1.0]heptane

3-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)-1,3-dioxan-5-yl]-7-oxabicyclo[4.1.0]heptane (PubChem CID 20724004) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is 3-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)-1,3-dioxan-5-yl]-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name3-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)-1,3-dioxan-5-yl]-7-oxabicyclo[4.1.0]heptane
PubChem CID20724004
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Name3-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)-1,3-dioxan-5-yl]-7-oxabicyclo[4.1.0]heptane
SMILESC1CC2OC2CC1C1COC(C2CCC3OC3C2)OC1
InChIInChI=1S/C16H24O4/c1-3-12-14(19-12)5-9(1)11-7-17-16(18-8-11)10-2-4-13-15(6-10)20-13/h9-16H,1-8H2
InChIKeyIJUVMGPZIADWRM-UHFFFAOYSA-N
XLogP2.11
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-Epoxycyclohexyl)-8,9-epoxy-2,4-dioxaspiro(5.5)undecane
CID 92194
CID 23389445
CID 23389445
3-[4,6-Bis(7-oxabicyclo[4.1.0]heptan-3-yl)-1,3,5-trioxan-2-yl]-7-oxabicyclo[4.1.0]heptane
CID 11632283
Bis[1-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl] carbonate
CID 18343657
3-Ethyl-3,9-bis(7-oxabicyclo[4.1.0]heptan-3-yl)-1,5,7,11-tetraoxaspiro[5.5]undecane
CID 18766938
3-Ethyl-3,9-bis(7-oxabicyclo[4.1.0]heptan-2-yl)-1,5,7,11-tetraoxaspiro[5.5]undecane
CID 18766950
3-(7-Oxabicyclo[4.1.0]heptan-3-ylmethoxymethoxymethyl)-7-oxabicyclo[4.1.0]heptane
CID 19420015
3-[2-(7-Oxabicyclo[4.1.0]heptan-3-ylmethoxy)propan-2-yloxymethyl]-7-oxabicyclo[4.1.0]heptane
CID 19420016
7-Oxabicyclo[4.1.0]heptan-3-yl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yloxy]methanol
CID 20669197
2-(7-Oxabicyclo[4.1.0]heptan-3-yl)spiro[1,3-dioxane-5,3'-bicyclo[4.1.0]heptane]
CID 20726482
Bis[(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] carbonate
CID 21422023
3-Methyl-4-[(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxymethoxymethyl]-7-oxabicyclo[4.1.0]heptane
CID 21422025

Frequently Asked Questions

What is the IUPAC name of 3-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)-1,3-dioxan-5-yl]-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of 3-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)-1,3-dioxan-5-yl]-7-oxabicyclo[4.1.0]heptane (CID 20724004) is 3-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)-1,3-dioxan-5-yl]-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 3-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)-1,3-dioxan-5-yl]-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 3-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)-1,3-dioxan-5-yl]-7-oxabicyclo[4.1.0]heptane is C1CC2OC2CC1C1COC(C2CCC3OC3C2)OC1.
What is the InChIKey of 3-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)-1,3-dioxan-5-yl]-7-oxabicyclo[4.1.0]heptane?
The InChIKey is IJUVMGPZIADWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O4/c1-3-12-14(19-12)5-9(1)11-7-17-16(18-8-11)10-2-4-13-15(6-10)20-13/h9-16H,1-8H2.
What are the key properties of 3-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)-1,3-dioxan-5-yl]-7-oxabicyclo[4.1.0]heptane?
3-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)-1,3-dioxan-5-yl]-7-oxabicyclo[4.1.0]heptane has a molecular weight of 280.36 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)-1,3-dioxan-5-yl]-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 20724004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).