2-[bis(7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]ethanol

C15H24O4 — CID 22266970

IUPAC2-[bis(7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]ethanol
SMILESOCCOC(C1CCC2OC2C1)C1CCC2OC2C1
InChIInChI=1S/C15H24O4/c16-5-6-17-15(9-1-3-11-13(7-9)18-11)10-2-4-12-14(8-10)19-12/h9-16H,1-8H2
InChIKeyKSJIGIWZPGUOTE-UHFFFAOYSA-N
MW268.35 g/mol
LogP1.50
Rot. Bonds5

About 2-[bis(7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]ethanol

2-[bis(7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]ethanol (PubChem CID 22266970) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is 2-[bis(7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]ethanol.

Molecular Properties

Compound Name2-[bis(7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]ethanol
PubChem CID22266970
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name2-[bis(7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]ethanol
SMILESOCCOC(C1CCC2OC2C1)C1CCC2OC2C1
InChIInChI=1S/C15H24O4/c16-5-6-17-15(9-1-3-11-13(7-9)18-11)10-2-4-12-14(8-10)19-12/h9-16H,1-8H2
InChIKeyKSJIGIWZPGUOTE-UHFFFAOYSA-N
XLogP1.50
TPSA54.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,4'-(Oxybis(methylene))bis(7-oxabicyclo(4.1.0)heptane)
CID 22381519
3-[2-(7-Oxabicyclo[4.1.0]heptan-3-ylmethoxy)ethoxymethyl]-7-oxabicyclo[4.1.0]heptane
CID 13627563
Bis(7-oxabicyclo[4.1.0]heptan-3-yl)methyl hydrogen carbonate
CID 18522639
2-[2-[2-Hydroxy-2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethoxy]-3-propoxypropoxy]-1-(7-oxabicyclo[4.1.0]heptan-3-yl)ethanol
CID 20743144
3,3'-[Butane-1,4-diylbis(oxymethylene)]bis(7-oxabicyclo[4.1.0]heptane)
CID 21422024
3-[5-(7-Oxabicyclo[4.1.0]heptan-3-yl)-1,4-dioxan-2-yl]-7-oxabicyclo[4.1.0]heptane
CID 22571165
2-[2-[2-Hydroxy-2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethoxy]-3-methoxypropoxy]-1-(7-oxabicyclo[4.1.0]heptan-3-yl)ethanol
CID 22889668
3-(7-Oxabicyclo[4.1.0]heptan-3-ylmethylperoxymethyl)-7-oxabicyclo[4.1.0]heptane
CID 22957595
3-[2-[2-(7-Oxabicyclo[4.1.0]heptan-3-yl)-1-(oxiran-2-yl)ethoxy]-2-(oxiran-2-yl)ethyl]-7-oxabicyclo[4.1.0]heptane
CID 54299484
3-[[7-Oxabicyclo[4.1.0]heptan-3-yl(oxiran-2-yl)methoxy]-(oxiran-2-yl)methyl]-7-oxabicyclo[4.1.0]heptane
CID 57205693
[5-[6-(Hydroxymethyl)-7-oxabicyclo[4.1.0]heptan-2-yl]-7-oxabicyclo[4.1.0]heptan-1-yl]methanol
CID 57574124
1,3-Bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]propan-2-ol
CID 58908082

Frequently Asked Questions

What is the IUPAC name of 2-[bis(7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]ethanol?
The IUPAC name of 2-[bis(7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]ethanol (CID 22266970) is 2-[bis(7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]ethanol.
What is the SMILES notation for 2-[bis(7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]ethanol?
The canonical SMILES for 2-[bis(7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]ethanol is OCCOC(C1CCC2OC2C1)C1CCC2OC2C1.
What is the InChIKey of 2-[bis(7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]ethanol?
The InChIKey is KSJIGIWZPGUOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c16-5-6-17-15(9-1-3-11-13(7-9)18-11)10-2-4-12-14(8-10)19-12/h9-16H,1-8H2.
What are the key properties of 2-[bis(7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]ethanol?
2-[bis(7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]ethanol has a molecular weight of 268.35 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]ethanol is sourced from PubChem (CID 22266970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).