5-(1-bromo-3-methylpentyl)-2,3-dihydro-1H-indene

C15H21Br — CID 114876125

IUPAC5-(1-bromo-3-methylpentyl)-2,3-dihydro-1H-indene
SMILESCCC(C)CC(Br)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H21Br/c1-3-11(2)9-15(16)14-8-7-12-5-4-6-13(12)10-14/h7-8,10-11,15H,3-6,9H2,1-2H3
InChIKeySKIYOCSDOXYTMT-UHFFFAOYSA-N
MW281.24 g/mol
LogP5.05
Rot. Bonds4

About 5-(1-bromo-3-methylpentyl)-2,3-dihydro-1H-indene

5-(1-bromo-3-methylpentyl)-2,3-dihydro-1H-indene (PubChem CID 114876125) has the molecular formula C15H21Br and a molecular weight of 281.24 g/mol. Its IUPAC name is 5-(1-bromo-3-methylpentyl)-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-(1-bromo-3-methylpentyl)-2,3-dihydro-1H-indene
PubChem CID114876125
Molecular FormulaC15H21Br
Molecular Weight281.24 g/mol
Exact Mass280.08
IUPAC Name5-(1-bromo-3-methylpentyl)-2,3-dihydro-1H-indene
SMILESCCC(C)CC(Br)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H21Br/c1-3-11(2)9-15(16)14-8-7-12-5-4-6-13(12)10-14/h7-8,10-11,15H,3-6,9H2,1-2H3
InChIKeySKIYOCSDOXYTMT-UHFFFAOYSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.24
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-(1-chloropropyl)-2,3-dihydro-1H-indene
CID 61086419
6-(1-bromo-3-methylpentyl)-3,4-dihydro-1H-quinolin-2-one
CID 114876110
5-(1-bromo-3-methylpentyl)-2,2-dimethyl-3H-1-benzofuran
CID 114876169
5-(1-bromo-2-phenylethyl)-2,3-dihydro-1H-indene
CID 63440354
1-bromo-1-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine
CID 116961881
7-(1-bromo-3-methylpentyl)-2-methyl-4H-isoquinoline-1,3-dione
CID 114876177
(4-butan-2-ylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43111676
6-(1-bromo-2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 63439172
ethyl 2-(2,3-dihydro-1H-inden-5-yl)propanoate
CID 164900857
1-(2,3-dihydro-1H-inden-5-yl)-2-methylpropan-1-ol
CID 61087028
5-(1-bromo-3-methylpentyl)-1,3-dihydrobenzimidazol-2-one
CID 114876107
5-(5,6,7,8-tetrahydronaphthalen-2-yl)heptane-2,3-diol
CID 83931813

Frequently Asked Questions

What is the IUPAC name of 5-(1-bromo-3-methylpentyl)-2,3-dihydro-1H-indene?
The IUPAC name of 5-(1-bromo-3-methylpentyl)-2,3-dihydro-1H-indene (CID 114876125) is 5-(1-bromo-3-methylpentyl)-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-(1-bromo-3-methylpentyl)-2,3-dihydro-1H-indene?
The canonical SMILES for 5-(1-bromo-3-methylpentyl)-2,3-dihydro-1H-indene is CCC(C)CC(Br)c1ccc2c(c1)CCC2.
What is the InChIKey of 5-(1-bromo-3-methylpentyl)-2,3-dihydro-1H-indene?
The InChIKey is SKIYOCSDOXYTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Br/c1-3-11(2)9-15(16)14-8-7-12-5-4-6-13(12)10-14/h7-8,10-11,15H,3-6,9H2,1-2H3.
What are the key properties of 5-(1-bromo-3-methylpentyl)-2,3-dihydro-1H-indene?
5-(1-bromo-3-methylpentyl)-2,3-dihydro-1H-indene has a molecular weight of 281.24 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-bromo-3-methylpentyl)-2,3-dihydro-1H-indene is sourced from PubChem (CID 114876125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).