5-bromo-3,3-di(propan-2-yl)-1,2-dihydroindene

C15H21Br — CID 169145643

IUPAC5-bromo-3,3-di(propan-2-yl)-1,2-dihydroindene
SMILESCC(C)C1(C(C)C)CCc2ccc(Br)cc21
InChIInChI=1S/C15H21Br/c1-10(2)15(11(3)4)8-7-12-5-6-13(16)9-14(12)15/h5-6,9-11H,7-8H2,1-4H3
InChIKeyBWWFDLOZTCVPNO-UHFFFAOYSA-N
MW281.24 g/mol
LogP4.95
Rot. Bonds2

About 5-bromo-3,3-di(propan-2-yl)-1,2-dihydroindene

5-bromo-3,3-di(propan-2-yl)-1,2-dihydroindene (PubChem CID 169145643) has the molecular formula C15H21Br and a molecular weight of 281.24 g/mol. Its IUPAC name is 5-bromo-3,3-di(propan-2-yl)-1,2-dihydroindene.

Molecular Properties

Compound Name5-bromo-3,3-di(propan-2-yl)-1,2-dihydroindene
PubChem CID169145643
Molecular FormulaC15H21Br
Molecular Weight281.24 g/mol
Exact Mass280.08
IUPAC Name5-bromo-3,3-di(propan-2-yl)-1,2-dihydroindene
SMILESCC(C)C1(C(C)C)CCc2ccc(Br)cc21
InChIInChI=1S/C15H21Br/c1-10(2)15(11(3)4)8-7-12-5-6-13(16)9-14(12)15/h5-6,9-11H,7-8H2,1-4H3
InChIKeyBWWFDLOZTCVPNO-UHFFFAOYSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,3-di(propan-2-yl)-1,2-dihydroindene
CID 22952112
6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 10537940
(6-bromo-1-methyl-2,3-dihydroinden-1-yl)methanamine
CID 84728033
5-bromospiro[1,2-dihydroindene-3,2'-pyrrolidine]
CID 46942192
6-bromo-1-methyl-2,3-dihydroindene-1-carboxylic acid
CID 18545988
5-bromospiro[1,2-dihydroindene-3,3'-azetidine]
CID 84629055
5-bromo-3-methyl-3-propan-2-yl-1,2-dihydroindole
CID 106701891
7-bromo-1,1-dimethyl-3,4-dihydronaphthalen-2-one
CID 115010938
5-bromospiro[1,2-dihydroindene-3,4'-piperidine]
CID 83671316
6-bromo-2'-propan-2-ylspiro[1,2-dihydroindene-3,1'-cyclopropane]
CID 167091801
5-bromospiro[1,2-dihydroindene-3,2'-1,3-thiazolidine]
CID 130501860
(3R)-5-bromospiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 154872521

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3,3-di(propan-2-yl)-1,2-dihydroindene?
The IUPAC name of 5-bromo-3,3-di(propan-2-yl)-1,2-dihydroindene (CID 169145643) is 5-bromo-3,3-di(propan-2-yl)-1,2-dihydroindene.
What is the SMILES notation for 5-bromo-3,3-di(propan-2-yl)-1,2-dihydroindene?
The canonical SMILES for 5-bromo-3,3-di(propan-2-yl)-1,2-dihydroindene is CC(C)C1(C(C)C)CCc2ccc(Br)cc21.
What is the InChIKey of 5-bromo-3,3-di(propan-2-yl)-1,2-dihydroindene?
The InChIKey is BWWFDLOZTCVPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Br/c1-10(2)15(11(3)4)8-7-12-5-6-13(16)9-14(12)15/h5-6,9-11H,7-8H2,1-4H3.
What are the key properties of 5-bromo-3,3-di(propan-2-yl)-1,2-dihydroindene?
5-bromo-3,3-di(propan-2-yl)-1,2-dihydroindene has a molecular weight of 281.24 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3,3-di(propan-2-yl)-1,2-dihydroindene is sourced from PubChem (CID 169145643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).