2-(1-bromoethyl)-1,1,3,3-tetramethyl-2H-indene

C15H21Br — CID 159411000

IUPAC2-(1-bromoethyl)-1,1,3,3-tetramethyl-2H-indene
SMILESCC(Br)C1C(C)(C)c2ccccc2C1(C)C
InChIInChI=1S/C15H21Br/c1-10(16)13-14(2,3)11-8-6-7-9-12(11)15(13,4)5/h6-10,13H,1-5H3
InChIKeyLOOQTQJRMVEEAD-UHFFFAOYSA-N
MW281.24 g/mol
LogP4.66
Rot. Bonds1

About 2-(1-bromoethyl)-1,1,3,3-tetramethyl-2H-indene

2-(1-bromoethyl)-1,1,3,3-tetramethyl-2H-indene (PubChem CID 159411000) has the molecular formula C15H21Br and a molecular weight of 281.24 g/mol. Its IUPAC name is 2-(1-bromoethyl)-1,1,3,3-tetramethyl-2H-indene.

Molecular Properties

Compound Name2-(1-bromoethyl)-1,1,3,3-tetramethyl-2H-indene
PubChem CID159411000
Molecular FormulaC15H21Br
Molecular Weight281.24 g/mol
Exact Mass280.08
IUPAC Name2-(1-bromoethyl)-1,1,3,3-tetramethyl-2H-indene
SMILESCC(Br)C1C(C)(C)c2ccccc2C1(C)C
InChIInChI=1S/C15H21Br/c1-10(16)13-14(2,3)11-8-6-7-9-12(11)15(13,4)5/h6-10,13H,1-5H3
InChIKeyLOOQTQJRMVEEAD-UHFFFAOYSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-bromoethyl)-1,1,3,3-tetramethyl-2H-indene?
The IUPAC name of 2-(1-bromoethyl)-1,1,3,3-tetramethyl-2H-indene (CID 159411000) is 2-(1-bromoethyl)-1,1,3,3-tetramethyl-2H-indene.
What is the SMILES notation for 2-(1-bromoethyl)-1,1,3,3-tetramethyl-2H-indene?
The canonical SMILES for 2-(1-bromoethyl)-1,1,3,3-tetramethyl-2H-indene is CC(Br)C1C(C)(C)c2ccccc2C1(C)C.
What is the InChIKey of 2-(1-bromoethyl)-1,1,3,3-tetramethyl-2H-indene?
The InChIKey is LOOQTQJRMVEEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Br/c1-10(16)13-14(2,3)11-8-6-7-9-12(11)15(13,4)5/h6-10,13H,1-5H3.
What are the key properties of 2-(1-bromoethyl)-1,1,3,3-tetramethyl-2H-indene?
2-(1-bromoethyl)-1,1,3,3-tetramethyl-2H-indene has a molecular weight of 281.24 g/mol, XLogP of 4.66, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromoethyl)-1,1,3,3-tetramethyl-2H-indene is sourced from PubChem (CID 159411000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).