2-(7-oxabicyclo[4.1.0]heptan-3-yl)spiro[1,3-dioxane-5,3'-bicyclo[4.1.0]heptane]

C16H24O3 — CID 20726482

IUPAC2-(7-oxabicyclo[4.1.0]heptan-3-yl)spiro[1,3-dioxane-5,3'-bicyclo[4.1.0]heptane]
SMILESC1CC2(COC(C3CCC4OC4C3)OC2)CC2CC12
InChIInChI=1S/C16H24O3/c1-2-13-14(19-13)6-11(1)15-17-8-16(9-18-15)4-3-10-5-12(10)7-16/h10-15H,1-9H2
InChIKeyAPPVXIAPZIJICZ-UHFFFAOYSA-N
MW264.36 g/mol
LogP2.73
Rot. Bonds1

About 2-(7-oxabicyclo[4.1.0]heptan-3-yl)spiro[1,3-dioxane-5,3'-bicyclo[4.1.0]heptane]

2-(7-oxabicyclo[4.1.0]heptan-3-yl)spiro[1,3-dioxane-5,3'-bicyclo[4.1.0]heptane] (PubChem CID 20726482) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is 2-(7-oxabicyclo[4.1.0]heptan-3-yl)spiro[1,3-dioxane-5,3'-bicyclo[4.1.0]heptane].

Molecular Properties

Compound Name2-(7-oxabicyclo[4.1.0]heptan-3-yl)spiro[1,3-dioxane-5,3'-bicyclo[4.1.0]heptane]
PubChem CID20726482
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name2-(7-oxabicyclo[4.1.0]heptan-3-yl)spiro[1,3-dioxane-5,3'-bicyclo[4.1.0]heptane]
SMILESC1CC2(COC(C3CCC4OC4C3)OC2)CC2CC12
InChIInChI=1S/C16H24O3/c1-2-13-14(19-13)6-11(1)15-17-8-16(9-18-15)4-3-10-5-12(10)7-16/h10-15H,1-9H2
InChIKeyAPPVXIAPZIJICZ-UHFFFAOYSA-N
XLogP2.73
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 52.73
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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Frequently Asked Questions

What is the IUPAC name of 2-(7-oxabicyclo[4.1.0]heptan-3-yl)spiro[1,3-dioxane-5,3'-bicyclo[4.1.0]heptane]?
The IUPAC name of 2-(7-oxabicyclo[4.1.0]heptan-3-yl)spiro[1,3-dioxane-5,3'-bicyclo[4.1.0]heptane] (CID 20726482) is 2-(7-oxabicyclo[4.1.0]heptan-3-yl)spiro[1,3-dioxane-5,3'-bicyclo[4.1.0]heptane].
What is the SMILES notation for 2-(7-oxabicyclo[4.1.0]heptan-3-yl)spiro[1,3-dioxane-5,3'-bicyclo[4.1.0]heptane]?
The canonical SMILES for 2-(7-oxabicyclo[4.1.0]heptan-3-yl)spiro[1,3-dioxane-5,3'-bicyclo[4.1.0]heptane] is C1CC2(COC(C3CCC4OC4C3)OC2)CC2CC12.
What is the InChIKey of 2-(7-oxabicyclo[4.1.0]heptan-3-yl)spiro[1,3-dioxane-5,3'-bicyclo[4.1.0]heptane]?
The InChIKey is APPVXIAPZIJICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-2-13-14(19-13)6-11(1)15-17-8-16(9-18-15)4-3-10-5-12(10)7-16/h10-15H,1-9H2.
What are the key properties of 2-(7-oxabicyclo[4.1.0]heptan-3-yl)spiro[1,3-dioxane-5,3'-bicyclo[4.1.0]heptane]?
2-(7-oxabicyclo[4.1.0]heptan-3-yl)spiro[1,3-dioxane-5,3'-bicyclo[4.1.0]heptane] has a molecular weight of 264.36 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-oxabicyclo[4.1.0]heptan-3-yl)spiro[1,3-dioxane-5,3'-bicyclo[4.1.0]heptane] is sourced from PubChem (CID 20726482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).