Dispiro[1,3-dioxolane-2,1'(4'H)-cyclobutadicyclopentene-4',2''-[1,3]dioxolane], 2',5'-dibromooctahydro-

C14H18Br2O4 — CID 567565

IUPAC—
SMILESBrC1CC2C(C3CC(Br)C4(OCCO4)C23)C12OCCO2
InChIInChI=1S/C14H18Br2O4/c15-9-5-7-11(13(9)17-1-2-18-13)8-6-10(16)14(12(7)8)19-3-4-20-14/h7-12H,1-6H2
InChIKeyXNBZASFULIBUDU-UHFFFAOYSA-N
MW410.10 g/mol
LogP2.29
Rot. Bonds

About Dispiro[1,3-dioxolane-2,1'(4'H)-cyclobutadicyclopentene-4',2''-[1,3]dioxolane], 2',5'-dibromooctahydro-

Dispiro[1,3-dioxolane-2,1'(4'H)-cyclobutadicyclopentene-4',2''-[1,3]dioxolane], 2',5'-dibromooctahydro- (PubChem CID 567565) has the molecular formula C14H18Br2O4 and a molecular weight of 410.10 g/mol.

Molecular Properties

Compound NameDispiro[1,3-dioxolane-2,1'(4'H)-cyclobutadicyclopentene-4',2''-[1,3]dioxolane], 2',5'-dibromooctahydro-
PubChem CID567565
Molecular FormulaC14H18Br2O4
Molecular Weight410.10 g/mol
Exact Mass407.96
IUPAC Name—
SMILESBrC1CC2C(C3CC(Br)C4(OCCO4)C23)C12OCCO2
InChIInChI=1S/C14H18Br2O4/c15-9-5-7-11(13(9)17-1-2-18-13)8-6-10(16)14(12(7)8)19-3-4-20-14/h7-12H,1-6H2
InChIKeyXNBZASFULIBUDU-UHFFFAOYSA-N
XLogP2.29
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.10
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze Dispiro[1,3-dioxolane-2,1'(4'H)-cyclobutadicyclopentene-4',2''-[1,3]dioxolane], 2',5'-dibromooctahydro- 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 Dispiro[1,3-dioxolane-2,1'(4'H)-cyclobutadicyclopentene-4',2''-[1,3]dioxolane], 2',5'-dibromooctahydro-?
The IUPAC name of Dispiro[1,3-dioxolane-2,1'(4'H)-cyclobutadicyclopentene-4',2''-[1,3]dioxolane], 2',5'-dibromooctahydro- (CID 567565) is not available.
What is the SMILES notation for Dispiro[1,3-dioxolane-2,1'(4'H)-cyclobutadicyclopentene-4',2''-[1,3]dioxolane], 2',5'-dibromooctahydro-?
The canonical SMILES for Dispiro[1,3-dioxolane-2,1'(4'H)-cyclobutadicyclopentene-4',2''-[1,3]dioxolane], 2',5'-dibromooctahydro- is BrC1CC2C(C3CC(Br)C4(OCCO4)C23)C12OCCO2.
What is the InChIKey of Dispiro[1,3-dioxolane-2,1'(4'H)-cyclobutadicyclopentene-4',2''-[1,3]dioxolane], 2',5'-dibromooctahydro-?
The InChIKey is XNBZASFULIBUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2O4/c15-9-5-7-11(13(9)17-1-2-18-13)8-6-10(16)14(12(7)8)19-3-4-20-14/h7-12H,1-6H2.
What are the key properties of Dispiro[1,3-dioxolane-2,1'(4'H)-cyclobutadicyclopentene-4',2''-[1,3]dioxolane], 2',5'-dibromooctahydro-?
Dispiro[1,3-dioxolane-2,1'(4'H)-cyclobutadicyclopentene-4',2''-[1,3]dioxolane], 2',5'-dibromooctahydro- has a molecular weight of 410.10 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Dispiro[1,3-dioxolane-2,1'(4'H)-cyclobutadicyclopentene-4',2''-[1,3]dioxolane], 2',5'-dibromooctahydro- is sourced from PubChem (CID 567565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).