7-bromospiro[1,2-dihydroindene-3,2'-1,3-dioxane]

C12H13BrO2 — CID 45158899

IUPAC7-bromospiro[1,2-dihydroindene-3,2'-1,3-dioxane]
SMILESBrc1cccc2c1CCC21OCCCO1
InChIInChI=1S/C12H13BrO2/c13-11-4-1-3-10-9(11)5-6-12(10)14-7-2-8-15-12/h1,3-4H,2,5-8H2
InChIKeyZNZMJQVYWVDCLZ-UHFFFAOYSA-N
MW269.14 g/mol
LogP2.98
Rot. Bonds

About 7-bromospiro[1,2-dihydroindene-3,2'-1,3-dioxane]

7-bromospiro[1,2-dihydroindene-3,2'-1,3-dioxane] (PubChem CID 45158899) has the molecular formula C12H13BrO2 and a molecular weight of 269.14 g/mol. Its IUPAC name is 7-bromospiro[1,2-dihydroindene-3,2'-1,3-dioxane].

Molecular Properties

Compound Name7-bromospiro[1,2-dihydroindene-3,2'-1,3-dioxane]
PubChem CID45158899
Molecular FormulaC12H13BrO2
Molecular Weight269.14 g/mol
Exact Mass268.01
IUPAC Name7-bromospiro[1,2-dihydroindene-3,2'-1,3-dioxane]
SMILESBrc1cccc2c1CCC21OCCCO1
InChIInChI=1S/C12H13BrO2/c13-11-4-1-3-10-9(11)5-6-12(10)14-7-2-8-15-12/h1,3-4H,2,5-8H2
InChIKeyZNZMJQVYWVDCLZ-UHFFFAOYSA-N
XLogP2.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromospiro[1,2-dihydroindene-3,2'-1,3-dioxane]?
The IUPAC name of 7-bromospiro[1,2-dihydroindene-3,2'-1,3-dioxane] (CID 45158899) is 7-bromospiro[1,2-dihydroindene-3,2'-1,3-dioxane].
What is the SMILES notation for 7-bromospiro[1,2-dihydroindene-3,2'-1,3-dioxane]?
The canonical SMILES for 7-bromospiro[1,2-dihydroindene-3,2'-1,3-dioxane] is Brc1cccc2c1CCC21OCCCO1.
What is the InChIKey of 7-bromospiro[1,2-dihydroindene-3,2'-1,3-dioxane]?
The InChIKey is ZNZMJQVYWVDCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrO2/c13-11-4-1-3-10-9(11)5-6-12(10)14-7-2-8-15-12/h1,3-4H,2,5-8H2.
What are the key properties of 7-bromospiro[1,2-dihydroindene-3,2'-1,3-dioxane]?
7-bromospiro[1,2-dihydroindene-3,2'-1,3-dioxane] has a molecular weight of 269.14 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromospiro[1,2-dihydroindene-3,2'-1,3-dioxane] is sourced from PubChem (CID 45158899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).