3,9-di(cyclohexen-1-yl)-2,4,8,10-tetraoxaspiro[5.5]undecane

C19H28O4 — CID 70500899

IUPAC3,9-di(cyclohexen-1-yl)-2,4,8,10-tetraoxaspiro[5.5]undecane
SMILESC1=C(C2OCC3(CO2)COC(C2=CCCCC2)OC3)CCCC1
InChIInChI=1S/C19H28O4/c1-3-7-15(8-4-1)17-20-11-19(12-21-17)13-22-18(23-14-19)16-9-5-2-6-10-16/h7,9,17-18H,1-6,8,10-14H2
InChIKeyLWTWLZWSIGRJPF-UHFFFAOYSA-N
MW320.43 g/mol
LogP3.72
Rot. Bonds2

About 3,9-di(cyclohexen-1-yl)-2,4,8,10-tetraoxaspiro[5.5]undecane

3,9-di(cyclohexen-1-yl)-2,4,8,10-tetraoxaspiro[5.5]undecane (PubChem CID 70500899) has the molecular formula C19H28O4 and a molecular weight of 320.43 g/mol. Its IUPAC name is 3,9-di(cyclohexen-1-yl)-2,4,8,10-tetraoxaspiro[5.5]undecane.

Molecular Properties

Compound Name3,9-di(cyclohexen-1-yl)-2,4,8,10-tetraoxaspiro[5.5]undecane
PubChem CID70500899
Molecular FormulaC19H28O4
Molecular Weight320.43 g/mol
Exact Mass320.20
IUPAC Name3,9-di(cyclohexen-1-yl)-2,4,8,10-tetraoxaspiro[5.5]undecane
SMILESC1=C(C2OCC3(CO2)COC(C2=CCCCC2)OC3)CCCC1
InChIInChI=1S/C19H28O4/c1-3-7-15(8-4-1)17-20-11-19(12-21-17)13-22-18(23-14-19)16-9-5-2-6-10-16/h7,9,17-18H,1-6,8,10-14H2
InChIKeyLWTWLZWSIGRJPF-UHFFFAOYSA-N
XLogP3.72
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,9-di(cyclohexen-1-yl)-2,4,8,10-tetraoxaspiro[5.5]undecane?
The IUPAC name of 3,9-di(cyclohexen-1-yl)-2,4,8,10-tetraoxaspiro[5.5]undecane (CID 70500899) is 3,9-di(cyclohexen-1-yl)-2,4,8,10-tetraoxaspiro[5.5]undecane.
What is the SMILES notation for 3,9-di(cyclohexen-1-yl)-2,4,8,10-tetraoxaspiro[5.5]undecane?
The canonical SMILES for 3,9-di(cyclohexen-1-yl)-2,4,8,10-tetraoxaspiro[5.5]undecane is C1=C(C2OCC3(CO2)COC(C2=CCCCC2)OC3)CCCC1.
What is the InChIKey of 3,9-di(cyclohexen-1-yl)-2,4,8,10-tetraoxaspiro[5.5]undecane?
The InChIKey is LWTWLZWSIGRJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O4/c1-3-7-15(8-4-1)17-20-11-19(12-21-17)13-22-18(23-14-19)16-9-5-2-6-10-16/h7,9,17-18H,1-6,8,10-14H2.
What are the key properties of 3,9-di(cyclohexen-1-yl)-2,4,8,10-tetraoxaspiro[5.5]undecane?
3,9-di(cyclohexen-1-yl)-2,4,8,10-tetraoxaspiro[5.5]undecane has a molecular weight of 320.43 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-di(cyclohexen-1-yl)-2,4,8,10-tetraoxaspiro[5.5]undecane is sourced from PubChem (CID 70500899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).