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

C15H24O4 — CID 19420015

IUPAC3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxymethoxymethyl)-7-oxabicyclo[4.1.0]heptane
SMILESC(OCC1CCC2OC2C1)OCC1CCC2OC2C1
InChIInChI=1S/C15H24O4/c1-3-12-14(18-12)5-10(1)7-16-9-17-8-11-2-4-13-15(6-11)19-13/h10-15H,1-9H2
InChIKeyKVIDKOINQPORBJ-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.11
Rot. Bonds6

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

3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxymethoxymethyl)-7-oxabicyclo[4.1.0]heptane (PubChem CID 19420015) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is 3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxymethoxymethyl)-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxymethoxymethyl)-7-oxabicyclo[4.1.0]heptane
PubChem CID19420015
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxymethoxymethyl)-7-oxabicyclo[4.1.0]heptane
SMILESC(OCC1CCC2OC2C1)OCC1CCC2OC2C1
InChIInChI=1S/C15H24O4/c1-3-12-14(18-12)5-10(1)7-16-9-17-8-11-2-4-13-15(6-11)19-13/h10-15H,1-9H2
InChIKeyKVIDKOINQPORBJ-UHFFFAOYSA-N
XLogP2.11
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxymethoxymethyl)-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of 3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxymethoxymethyl)-7-oxabicyclo[4.1.0]heptane (CID 19420015) is 3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxymethoxymethyl)-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxymethoxymethyl)-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxymethoxymethyl)-7-oxabicyclo[4.1.0]heptane is C(OCC1CCC2OC2C1)OCC1CCC2OC2C1.
What is the InChIKey of 3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxymethoxymethyl)-7-oxabicyclo[4.1.0]heptane?
The InChIKey is KVIDKOINQPORBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-3-12-14(18-12)5-10(1)7-16-9-17-8-11-2-4-13-15(6-11)19-13/h10-15H,1-9H2.
What are the key properties of 3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxymethoxymethyl)-7-oxabicyclo[4.1.0]heptane?
3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxymethoxymethyl)-7-oxabicyclo[4.1.0]heptane has a molecular weight of 268.35 g/mol, XLogP of 2.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxymethoxymethyl)-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 19420015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).