4-(2,2-dibromocyclopropyl)-5-ethenyl-2,2-dimethyl-1,3-dioxolane

C10H14Br2O2 — CID 10639784

IUPAC4-(2,2-dibromocyclopropyl)-5-ethenyl-2,2-dimethyl-1,3-dioxolane
SMILESC=CC1OC(C)(C)OC1C1CC1(Br)Br
InChIInChI=1S/C10H14Br2O2/c1-4-7-8(6-5-10(6,11)12)14-9(2,3)13-7/h4,6-8H,1,5H2,2-3H3
InChIKeyCLRLILDZTXBOSM-UHFFFAOYSA-N
MW326.03 g/mol
LogP3.20
Rot. Bonds2

About 4-(2,2-dibromocyclopropyl)-5-ethenyl-2,2-dimethyl-1,3-dioxolane

4-(2,2-dibromocyclopropyl)-5-ethenyl-2,2-dimethyl-1,3-dioxolane (PubChem CID 10639784) has the molecular formula C10H14Br2O2 and a molecular weight of 326.03 g/mol. Its IUPAC name is 4-(2,2-dibromocyclopropyl)-5-ethenyl-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name4-(2,2-dibromocyclopropyl)-5-ethenyl-2,2-dimethyl-1,3-dioxolane
PubChem CID10639784
Molecular FormulaC10H14Br2O2
Molecular Weight326.03 g/mol
Exact Mass323.94
IUPAC Name4-(2,2-dibromocyclopropyl)-5-ethenyl-2,2-dimethyl-1,3-dioxolane
SMILESC=CC1OC(C)(C)OC1C1CC1(Br)Br
InChIInChI=1S/C10H14Br2O2/c1-4-7-8(6-5-10(6,11)12)14-9(2,3)13-7/h4,6-8H,1,5H2,2-3H3
InChIKeyCLRLILDZTXBOSM-UHFFFAOYSA-N
XLogP3.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.03
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3aR,5aR,6aR,6bS)-6,6-dibromo-2,2-dimethyl-3a,5a,6a,6b-tetrahydrocyclopropa[g][1,3]benzodioxole
CID 15922148
(4S,5R)-4-(2,2-dibromoethenyl)-2,2-dimethyl-5-[(2R)-3-methylbut-3-en-2-yl]-1,3-dioxolane
CID 134888535
(3aS,5aS,6aS,6bR)-6,6-dibromo-2,2-dimethyl-3a,5a,6a,6b-tetrahydrocyclopropa[g][1,3]benzodioxole
CID 11141865

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dibromocyclopropyl)-5-ethenyl-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of 4-(2,2-dibromocyclopropyl)-5-ethenyl-2,2-dimethyl-1,3-dioxolane (CID 10639784) is 4-(2,2-dibromocyclopropyl)-5-ethenyl-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for 4-(2,2-dibromocyclopropyl)-5-ethenyl-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for 4-(2,2-dibromocyclopropyl)-5-ethenyl-2,2-dimethyl-1,3-dioxolane is C=CC1OC(C)(C)OC1C1CC1(Br)Br.
What is the InChIKey of 4-(2,2-dibromocyclopropyl)-5-ethenyl-2,2-dimethyl-1,3-dioxolane?
The InChIKey is CLRLILDZTXBOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Br2O2/c1-4-7-8(6-5-10(6,11)12)14-9(2,3)13-7/h4,6-8H,1,5H2,2-3H3.
What are the key properties of 4-(2,2-dibromocyclopropyl)-5-ethenyl-2,2-dimethyl-1,3-dioxolane?
4-(2,2-dibromocyclopropyl)-5-ethenyl-2,2-dimethyl-1,3-dioxolane has a molecular weight of 326.03 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dibromocyclopropyl)-5-ethenyl-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 10639784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).