3-[4,6-bis(7-oxabicyclo[4.1.0]heptan-3-yl)-1,3,5-trioxan-2-yl]-7-oxabicyclo[4.1.0]heptane

C21H30O6 — CID 11632283

IUPAC3-[4,6-bis(7-oxabicyclo[4.1.0]heptan-3-yl)-1,3,5-trioxan-2-yl]-7-oxabicyclo[4.1.0]heptane
SMILESC1CC2OC2CC1C1OC(C2CCC3OC3C2)OC(C2CCC3OC3C2)O1
InChIInChI=1S/C21H30O6/c1-4-13-16(22-13)7-10(1)19-25-20(11-2-5-14-17(8-11)23-14)27-21(26-19)12-3-6-15-18(9-12)24-15/h10-21H,1-9H2
InChIKeyCGWIWODINWPAFT-UHFFFAOYSA-N
MW378.47 g/mol
LogP2.73
Rot. Bonds3

About 3-[4,6-bis(7-oxabicyclo[4.1.0]heptan-3-yl)-1,3,5-trioxan-2-yl]-7-oxabicyclo[4.1.0]heptane

3-[4,6-bis(7-oxabicyclo[4.1.0]heptan-3-yl)-1,3,5-trioxan-2-yl]-7-oxabicyclo[4.1.0]heptane (PubChem CID 11632283) has the molecular formula C21H30O6 and a molecular weight of 378.47 g/mol. Its IUPAC name is 3-[4,6-bis(7-oxabicyclo[4.1.0]heptan-3-yl)-1,3,5-trioxan-2-yl]-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name3-[4,6-bis(7-oxabicyclo[4.1.0]heptan-3-yl)-1,3,5-trioxan-2-yl]-7-oxabicyclo[4.1.0]heptane
PubChem CID11632283
Molecular FormulaC21H30O6
Molecular Weight378.47 g/mol
Exact Mass378.20
IUPAC Name3-[4,6-bis(7-oxabicyclo[4.1.0]heptan-3-yl)-1,3,5-trioxan-2-yl]-7-oxabicyclo[4.1.0]heptane
SMILESC1CC2OC2CC1C1OC(C2CCC3OC3C2)OC(C2CCC3OC3C2)O1
InChIInChI=1S/C21H30O6/c1-4-13-16(22-13)7-10(1)19-25-20(11-2-5-14-17(8-11)23-14)27-21(26-19)12-3-6-15-18(9-12)24-15/h10-21H,1-9H2
InChIKeyCGWIWODINWPAFT-UHFFFAOYSA-N
XLogP2.73
TPSA65.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[4,6-bis(7-oxabicyclo[4.1.0]heptan-3-yl)-1,3,5-trioxan-2-yl]-7-oxabicyclo[4.1.0]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4,6-bis(7-oxabicyclo[4.1.0]heptan-3-yl)-1,3,5-trioxan-2-yl]-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of 3-[4,6-bis(7-oxabicyclo[4.1.0]heptan-3-yl)-1,3,5-trioxan-2-yl]-7-oxabicyclo[4.1.0]heptane (CID 11632283) is 3-[4,6-bis(7-oxabicyclo[4.1.0]heptan-3-yl)-1,3,5-trioxan-2-yl]-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 3-[4,6-bis(7-oxabicyclo[4.1.0]heptan-3-yl)-1,3,5-trioxan-2-yl]-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 3-[4,6-bis(7-oxabicyclo[4.1.0]heptan-3-yl)-1,3,5-trioxan-2-yl]-7-oxabicyclo[4.1.0]heptane is C1CC2OC2CC1C1OC(C2CCC3OC3C2)OC(C2CCC3OC3C2)O1.
What is the InChIKey of 3-[4,6-bis(7-oxabicyclo[4.1.0]heptan-3-yl)-1,3,5-trioxan-2-yl]-7-oxabicyclo[4.1.0]heptane?
The InChIKey is CGWIWODINWPAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30O6/c1-4-13-16(22-13)7-10(1)19-25-20(11-2-5-14-17(8-11)23-14)27-21(26-19)12-3-6-15-18(9-12)24-15/h10-21H,1-9H2.
What are the key properties of 3-[4,6-bis(7-oxabicyclo[4.1.0]heptan-3-yl)-1,3,5-trioxan-2-yl]-7-oxabicyclo[4.1.0]heptane?
3-[4,6-bis(7-oxabicyclo[4.1.0]heptan-3-yl)-1,3,5-trioxan-2-yl]-7-oxabicyclo[4.1.0]heptane has a molecular weight of 378.47 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4,6-bis(7-oxabicyclo[4.1.0]heptan-3-yl)-1,3,5-trioxan-2-yl]-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 11632283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).