3-ethyl-3,9-bis(7-oxabicyclo[4.1.0]heptan-3-yl)-1,5,7,11-tetraoxaspiro[5.5]undecane

C21H32O6 — CID 18766938

IUPAC3-ethyl-3,9-bis(7-oxabicyclo[4.1.0]heptan-3-yl)-1,5,7,11-tetraoxaspiro[5.5]undecane
SMILESCCC1(C2CCC3OC3C2)COC2(OCC(C3CCC4OC4C3)CO2)OC1
InChIInChI=1S/C21H32O6/c1-2-20(15-4-6-17-19(8-15)27-17)11-24-21(25-12-20)22-9-14(10-23-21)13-3-5-16-18(7-13)26-16/h13-19H,2-12H2,1H3
InChIKeyLXWQQEIZWGSIPJ-UHFFFAOYSA-N
MW380.48 g/mol
LogP2.84
Rot. Bonds3

About 3-ethyl-3,9-bis(7-oxabicyclo[4.1.0]heptan-3-yl)-1,5,7,11-tetraoxaspiro[5.5]undecane

3-ethyl-3,9-bis(7-oxabicyclo[4.1.0]heptan-3-yl)-1,5,7,11-tetraoxaspiro[5.5]undecane (PubChem CID 18766938) has the molecular formula C21H32O6 and a molecular weight of 380.48 g/mol. Its IUPAC name is 3-ethyl-3,9-bis(7-oxabicyclo[4.1.0]heptan-3-yl)-1,5,7,11-tetraoxaspiro[5.5]undecane.

Molecular Properties

Compound Name3-ethyl-3,9-bis(7-oxabicyclo[4.1.0]heptan-3-yl)-1,5,7,11-tetraoxaspiro[5.5]undecane
PubChem CID18766938
Molecular FormulaC21H32O6
Molecular Weight380.48 g/mol
Exact Mass380.22
IUPAC Name3-ethyl-3,9-bis(7-oxabicyclo[4.1.0]heptan-3-yl)-1,5,7,11-tetraoxaspiro[5.5]undecane
SMILESCCC1(C2CCC3OC3C2)COC2(OCC(C3CCC4OC4C3)CO2)OC1
InChIInChI=1S/C21H32O6/c1-2-20(15-4-6-17-19(8-15)27-17)11-24-21(25-12-20)22-9-14(10-23-21)13-3-5-16-18(7-13)26-16/h13-19H,2-12H2,1H3
InChIKeyLXWQQEIZWGSIPJ-UHFFFAOYSA-N
XLogP2.84
TPSA61.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.48
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-ethyl-3,9-bis(7-oxabicyclo[4.1.0]heptan-3-yl)-1,5,7,11-tetraoxaspiro[5.5]undecane with MolForge

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

Launch Full Analysis

Related Compounds

3-(3,4-Epoxycyclohexyl)-8,9-epoxy-2,4-dioxaspiro(5.5)undecane
CID 92194
CID 23389445
CID 23389445
3-Ethyl-3,9-bis(7-oxabicyclo[4.1.0]heptan-2-yl)-1,5,7,11-tetraoxaspiro[5.5]undecane
CID 18766950
3-Ethyl-3,9-bis(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-1,5,7,11-tetraoxaspiro[5.5]undecane
CID 18766960
3-Ethyl-3,9-bis(7-oxabicyclo[4.1.0]heptan-2-ylmethyl)-1,5,7,11-tetraoxaspiro[5.5]undecane
CID 18766962
3-[2-(7-Oxabicyclo[4.1.0]heptan-3-yl)-1,3-dioxan-5-yl]-7-oxabicyclo[4.1.0]heptane
CID 20724004
4'-Methyl-2-(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)spiro[1,3-dioxane-5,3'-7-oxabicyclo[4.1.0]heptane]
CID 21422030
3,9-Bis(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-1,5,7,11-tetraoxaspiro[5.5]undecane
CID 22634722
3,9-Bis[(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl]-1,5,7,11-tetraoxaspiro[5.5]undecane
CID 22634725
3,9-Bis[(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]-1,5,7,11-tetraoxaspiro[5.5]undecane
CID 22634729
3,9-Bis[(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)oxymethyl]-1,5,7,11-tetraoxaspiro[5.5]undecane
CID 22634730
3,9-Bis(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-1,5,7,11-tetraoxaspiro[5.5]undecane
CID 22634738

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3,9-bis(7-oxabicyclo[4.1.0]heptan-3-yl)-1,5,7,11-tetraoxaspiro[5.5]undecane?
The IUPAC name of 3-ethyl-3,9-bis(7-oxabicyclo[4.1.0]heptan-3-yl)-1,5,7,11-tetraoxaspiro[5.5]undecane (CID 18766938) is 3-ethyl-3,9-bis(7-oxabicyclo[4.1.0]heptan-3-yl)-1,5,7,11-tetraoxaspiro[5.5]undecane.
What is the SMILES notation for 3-ethyl-3,9-bis(7-oxabicyclo[4.1.0]heptan-3-yl)-1,5,7,11-tetraoxaspiro[5.5]undecane?
The canonical SMILES for 3-ethyl-3,9-bis(7-oxabicyclo[4.1.0]heptan-3-yl)-1,5,7,11-tetraoxaspiro[5.5]undecane is CCC1(C2CCC3OC3C2)COC2(OCC(C3CCC4OC4C3)CO2)OC1.
What is the InChIKey of 3-ethyl-3,9-bis(7-oxabicyclo[4.1.0]heptan-3-yl)-1,5,7,11-tetraoxaspiro[5.5]undecane?
The InChIKey is LXWQQEIZWGSIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32O6/c1-2-20(15-4-6-17-19(8-15)27-17)11-24-21(25-12-20)22-9-14(10-23-21)13-3-5-16-18(7-13)26-16/h13-19H,2-12H2,1H3.
What are the key properties of 3-ethyl-3,9-bis(7-oxabicyclo[4.1.0]heptan-3-yl)-1,5,7,11-tetraoxaspiro[5.5]undecane?
3-ethyl-3,9-bis(7-oxabicyclo[4.1.0]heptan-3-yl)-1,5,7,11-tetraoxaspiro[5.5]undecane has a molecular weight of 380.48 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3,9-bis(7-oxabicyclo[4.1.0]heptan-3-yl)-1,5,7,11-tetraoxaspiro[5.5]undecane is sourced from PubChem (CID 18766938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).