5-bromospiro[1,3-dihydroindene-2,2'-1,3-dioxolane]

C11H11BrO2 — CID 67818499

IUPAC5-bromospiro[1,3-dihydroindene-2,2'-1,3-dioxolane]
SMILESBrc1ccc2c(c1)CC1(C2)OCCO1
InChIInChI=1S/C11H11BrO2/c12-10-2-1-8-6-11(7-9(8)5-10)13-3-4-14-11/h1-2,5H,3-4,6-7H2
InChIKeyGEPTWXIPFQNFNY-UHFFFAOYSA-N
MW255.11 g/mol
LogP2.29
Rot. Bonds

About 5-bromospiro[1,3-dihydroindene-2,2'-1,3-dioxolane]

5-bromospiro[1,3-dihydroindene-2,2'-1,3-dioxolane] (PubChem CID 67818499) has the molecular formula C11H11BrO2 and a molecular weight of 255.11 g/mol. Its IUPAC name is 5-bromospiro[1,3-dihydroindene-2,2'-1,3-dioxolane].

Molecular Properties

Compound Name5-bromospiro[1,3-dihydroindene-2,2'-1,3-dioxolane]
PubChem CID67818499
Molecular FormulaC11H11BrO2
Molecular Weight255.11 g/mol
Exact Mass253.99
IUPAC Name5-bromospiro[1,3-dihydroindene-2,2'-1,3-dioxolane]
SMILESBrc1ccc2c(c1)CC1(C2)OCCO1
InChIInChI=1S/C11H11BrO2/c12-10-2-1-8-6-11(7-9(8)5-10)13-3-4-14-11/h1-2,5H,3-4,6-7H2
InChIKeyGEPTWXIPFQNFNY-UHFFFAOYSA-N
XLogP2.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromospiro[1,3-dihydroindene-2,2'-1,3-dioxolane]?
The IUPAC name of 5-bromospiro[1,3-dihydroindene-2,2'-1,3-dioxolane] (CID 67818499) is 5-bromospiro[1,3-dihydroindene-2,2'-1,3-dioxolane].
What is the SMILES notation for 5-bromospiro[1,3-dihydroindene-2,2'-1,3-dioxolane]?
The canonical SMILES for 5-bromospiro[1,3-dihydroindene-2,2'-1,3-dioxolane] is Brc1ccc2c(c1)CC1(C2)OCCO1.
What is the InChIKey of 5-bromospiro[1,3-dihydroindene-2,2'-1,3-dioxolane]?
The InChIKey is GEPTWXIPFQNFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO2/c12-10-2-1-8-6-11(7-9(8)5-10)13-3-4-14-11/h1-2,5H,3-4,6-7H2.
What are the key properties of 5-bromospiro[1,3-dihydroindene-2,2'-1,3-dioxolane]?
5-bromospiro[1,3-dihydroindene-2,2'-1,3-dioxolane] has a molecular weight of 255.11 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromospiro[1,3-dihydroindene-2,2'-1,3-dioxolane] is sourced from PubChem (CID 67818499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).