6-bromo-2'-propan-2-ylspiro[1,2-dihydroindene-3,1'-cyclopropane]

C14H17Br — CID 167091801

IUPAC6-bromo-2'-propan-2-ylspiro[1,2-dihydroindene-3,1'-cyclopropane]
SMILESCC(C)C1CC12CCc1cc(Br)ccc12
InChIInChI=1S/C14H17Br/c1-9(2)13-8-14(13)6-5-10-7-11(15)3-4-12(10)14/h3-4,7,9,13H,5-6,8H2,1-2H3
InChIKeyADANXBCKHQJYNV-UHFFFAOYSA-N
MW265.19 g/mol
LogP4.31
Rot. Bonds1

About 6-bromo-2'-propan-2-ylspiro[1,2-dihydroindene-3,1'-cyclopropane]

6-bromo-2'-propan-2-ylspiro[1,2-dihydroindene-3,1'-cyclopropane] (PubChem CID 167091801) has the molecular formula C14H17Br and a molecular weight of 265.19 g/mol. Its IUPAC name is 6-bromo-2'-propan-2-ylspiro[1,2-dihydroindene-3,1'-cyclopropane].

Molecular Properties

Compound Name6-bromo-2'-propan-2-ylspiro[1,2-dihydroindene-3,1'-cyclopropane]
PubChem CID167091801
Molecular FormulaC14H17Br
Molecular Weight265.19 g/mol
Exact Mass264.05
IUPAC Name6-bromo-2'-propan-2-ylspiro[1,2-dihydroindene-3,1'-cyclopropane]
SMILESCC(C)C1CC12CCc1cc(Br)ccc12
InChIInChI=1S/C14H17Br/c1-9(2)13-8-14(13)6-5-10-7-11(15)3-4-12(10)14/h3-4,7,9,13H,5-6,8H2,1-2H3
InChIKeyADANXBCKHQJYNV-UHFFFAOYSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2'-propan-2-ylspiro[1,2-dihydroindene-3,1'-cyclopropane]?
The IUPAC name of 6-bromo-2'-propan-2-ylspiro[1,2-dihydroindene-3,1'-cyclopropane] (CID 167091801) is 6-bromo-2'-propan-2-ylspiro[1,2-dihydroindene-3,1'-cyclopropane].
What is the SMILES notation for 6-bromo-2'-propan-2-ylspiro[1,2-dihydroindene-3,1'-cyclopropane]?
The canonical SMILES for 6-bromo-2'-propan-2-ylspiro[1,2-dihydroindene-3,1'-cyclopropane] is CC(C)C1CC12CCc1cc(Br)ccc12.
What is the InChIKey of 6-bromo-2'-propan-2-ylspiro[1,2-dihydroindene-3,1'-cyclopropane]?
The InChIKey is ADANXBCKHQJYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Br/c1-9(2)13-8-14(13)6-5-10-7-11(15)3-4-12(10)14/h3-4,7,9,13H,5-6,8H2,1-2H3.
What are the key properties of 6-bromo-2'-propan-2-ylspiro[1,2-dihydroindene-3,1'-cyclopropane]?
6-bromo-2'-propan-2-ylspiro[1,2-dihydroindene-3,1'-cyclopropane] has a molecular weight of 265.19 g/mol, XLogP of 4.31, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2'-propan-2-ylspiro[1,2-dihydroindene-3,1'-cyclopropane] is sourced from PubChem (CID 167091801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).