2-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-9-oxabicyclo[3.3.1]nonane

C15H24O3 — CID 89028022

IUPAC2-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-9-oxabicyclo[3.3.1]nonane
SMILESC1CC2CCC(OCC3CCC4OC4C3)C(C1)O2
InChIInChI=1S/C15H24O3/c1-2-11-5-7-12(13(3-1)17-11)16-9-10-4-6-14-15(8-10)18-14/h10-15H,1-9H2
InChIKeyWMSMPPPSKLEIEX-UHFFFAOYSA-N
MW252.35 g/mol
LogP2.67
Rot. Bonds3

About 2-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-9-oxabicyclo[3.3.1]nonane

2-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-9-oxabicyclo[3.3.1]nonane (PubChem CID 89028022) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 2-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-9-oxabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name2-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-9-oxabicyclo[3.3.1]nonane
PubChem CID89028022
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name2-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-9-oxabicyclo[3.3.1]nonane
SMILESC1CC2CCC(OCC3CCC4OC4C3)C(C1)O2
InChIInChI=1S/C15H24O3/c1-2-11-5-7-12(13(3-1)17-11)16-9-10-4-6-14-15(8-10)18-14/h10-15H,1-9H2
InChIKeyWMSMPPPSKLEIEX-UHFFFAOYSA-N
XLogP2.67
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.67
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

3-[4-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)butoxymethyl]-7-oxabicyclo[4.1.0]heptane
CID 21422024
3,6-bis(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]furan
CID 59502487
3-(ethoxymethyl)-7-oxabicyclo[4.1.0]heptane
CID 23517822
(1S,4S,6R,10R)-5,11-dioxatricyclo[8.1.0.04,6]undecane
CID 7098824
5,11-dioxatricyclo[8.1.0.04,6]undecane
CID 3319750
2-(oxiran-2-ylmethoxy)-7-oxabicyclo[2.2.1]heptane
CID 59502486
cyclopentane;7-oxabicyclo[4.1.0]heptan-3-ylmethanol
CID 21219626
9-oxabicyclo[3.3.1]nonan-2-yl acetate
CID 539323
hexane-1,6-diol;3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxymethyl)-7-oxabicyclo[4.1.0]heptane
CID 87897648
3-[(3-ethoxycyclohexyl)methyl]-7-oxabicyclo[4.1.0]heptane
CID 142638254
7-oxabicyclo[4.1.0]heptan-3-ylmethyl 6-oxabicyclo[3.1.1]heptane-3-carboxylate
CID 129121287
(1R,2R,6R)-2-iodo-9-oxabicyclo[4.2.1]nonane
CID 94036968

Frequently Asked Questions

What is the IUPAC name of 2-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-9-oxabicyclo[3.3.1]nonane?
The IUPAC name of 2-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-9-oxabicyclo[3.3.1]nonane (CID 89028022) is 2-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-9-oxabicyclo[3.3.1]nonane.
What is the SMILES notation for 2-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-9-oxabicyclo[3.3.1]nonane?
The canonical SMILES for 2-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-9-oxabicyclo[3.3.1]nonane is C1CC2CCC(OCC3CCC4OC4C3)C(C1)O2.
What is the InChIKey of 2-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-9-oxabicyclo[3.3.1]nonane?
The InChIKey is WMSMPPPSKLEIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-2-11-5-7-12(13(3-1)17-11)16-9-10-4-6-14-15(8-10)18-14/h10-15H,1-9H2.
What are the key properties of 2-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-9-oxabicyclo[3.3.1]nonane?
2-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-9-oxabicyclo[3.3.1]nonane has a molecular weight of 252.35 g/mol, XLogP of 2.67, 3 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-ylmethoxy)-9-oxabicyclo[3.3.1]nonane is sourced from PubChem (CID 89028022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).