3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxymethyl)-7-oxabicyclo[4.1.0]heptane

C14H22O3 — CID 22381519

IUPAC3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxymethyl)-7-oxabicyclo[4.1.0]heptane
SMILESC1CC2OC2CC1COCC1CCC2OC2C1
InChIInChI=1S/C14H22O3/c1-3-11-13(16-11)5-9(1)7-15-8-10-2-4-12-14(6-10)17-12/h9-14H,1-8H2
InChIKeyRRXFVFZYPPCDAW-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.14
Rot. Bonds4

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

3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxymethyl)-7-oxabicyclo[4.1.0]heptane (PubChem CID 22381519) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxymethyl)-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxymethyl)-7-oxabicyclo[4.1.0]heptane
PubChem CID22381519
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxymethyl)-7-oxabicyclo[4.1.0]heptane
SMILESC1CC2OC2CC1COCC1CCC2OC2C1
InChIInChI=1S/C14H22O3/c1-3-11-13(16-11)5-9(1)7-15-8-10-2-4-12-14(6-10)17-12/h9-14H,1-8H2
InChIKeyRRXFVFZYPPCDAW-UHFFFAOYSA-N
XLogP2.14
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxymethyl)-7-oxabicyclo[4.1.0]heptane with MolForge

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Related Compounds

Vinyl cyclohexene dioxide
CID 7833
7,7'-Dioxa-3,3'-bi(bicyclo[4.1.0]heptane)
CID 18952580
Epoxycyclohexylmethyl-3,4-epoxycyclohexane
CID 129713770
Ethyleneoxy 3,4-epoxycyclohexane
CID 129774595
7-Oxabicyclo(4.1.0)heptane, 3-((oxiranylmethoxy)methyl)-
CID 13209911
3-[[1,1,2,2,3,3,4,4-Octafluoro-4-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)butoxy]methyl]-7-oxabicyclo[4.1.0]heptane
CID 58895073
3-[[1,1,2,2,4,4-Hexafluoro-4-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)butoxy]methyl]-7-oxabicyclo[4.1.0]heptane
CID 88972121
(1R,6R)-3-(oxiran-2-yl)-7-oxabicyclo[4.1.0]heptane
CID 91311508
3-Methyl-4-[(7-oxabicyclo[4.1.0]hept-3-ylmethoxy)methyl]-7-oxabicyclo[4.1.0]heptane
CID 235377
4,10-Dioxatetracyclo[5.5.0.03,5.09,11]dodecane
CID 11521145
3-[2-(7-Oxabicyclo[4.1.0]heptan-3-ylmethoxy)ethoxymethyl]-7-oxabicyclo[4.1.0]heptane
CID 13627563
3-[1-(7-Oxabicyclo[4.1.0]heptan-3-yl)propyl]-7-oxabicyclo[4.1.0]heptane
CID 17821421

Frequently Asked Questions

What is the IUPAC name of 3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxymethyl)-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of 3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxymethyl)-7-oxabicyclo[4.1.0]heptane (CID 22381519) is 3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxymethyl)-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxymethyl)-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxymethyl)-7-oxabicyclo[4.1.0]heptane is C1CC2OC2CC1COCC1CCC2OC2C1.
What is the InChIKey of 3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxymethyl)-7-oxabicyclo[4.1.0]heptane?
The InChIKey is RRXFVFZYPPCDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-3-11-13(16-11)5-9(1)7-15-8-10-2-4-12-14(6-10)17-12/h9-14H,1-8H2.
What are the key properties of 3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxymethyl)-7-oxabicyclo[4.1.0]heptane?
3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxymethyl)-7-oxabicyclo[4.1.0]heptane has a molecular weight of 238.33 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxymethyl)-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 22381519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).