5-(2-chloroethyl)-2,2,4,6-tetramethyl-1,3-dihydroindene

C15H21Cl — CID 10776235

IUPAC5-(2-chloroethyl)-2,2,4,6-tetramethyl-1,3-dihydroindene
SMILESCc1cc2c(c(C)c1CCCl)CC(C)(C)C2
InChIInChI=1S/C15H21Cl/c1-10-7-12-8-15(3,4)9-14(12)11(2)13(10)5-6-16/h7H,5-6,8-9H2,1-4H3
InChIKeyAOZZRIFMYYWXLE-UHFFFAOYSA-N
MW236.79 g/mol
LogP4.21
Rot. Bonds2

About 5-(2-chloroethyl)-2,2,4,6-tetramethyl-1,3-dihydroindene

5-(2-chloroethyl)-2,2,4,6-tetramethyl-1,3-dihydroindene (PubChem CID 10776235) has the molecular formula C15H21Cl and a molecular weight of 236.79 g/mol. Its IUPAC name is 5-(2-chloroethyl)-2,2,4,6-tetramethyl-1,3-dihydroindene.

Molecular Properties

Compound Name5-(2-chloroethyl)-2,2,4,6-tetramethyl-1,3-dihydroindene
PubChem CID10776235
Molecular FormulaC15H21Cl
Molecular Weight236.79 g/mol
Exact Mass236.13
IUPAC Name5-(2-chloroethyl)-2,2,4,6-tetramethyl-1,3-dihydroindene
SMILESCc1cc2c(c(C)c1CCCl)CC(C)(C)C2
InChIInChI=1S/C15H21Cl/c1-10-7-12-8-15(3,4)9-14(12)11(2)13(10)5-6-16/h7H,5-6,8-9H2,1-4H3
InChIKeyAOZZRIFMYYWXLE-UHFFFAOYSA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.79
LogP ≤ 54.21
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 5-(2-chloroethyl)-2,2,4,6-tetramethyl-1,3-dihydroindene?
The IUPAC name of 5-(2-chloroethyl)-2,2,4,6-tetramethyl-1,3-dihydroindene (CID 10776235) is 5-(2-chloroethyl)-2,2,4,6-tetramethyl-1,3-dihydroindene.
What is the SMILES notation for 5-(2-chloroethyl)-2,2,4,6-tetramethyl-1,3-dihydroindene?
The canonical SMILES for 5-(2-chloroethyl)-2,2,4,6-tetramethyl-1,3-dihydroindene is Cc1cc2c(c(C)c1CCCl)CC(C)(C)C2.
What is the InChIKey of 5-(2-chloroethyl)-2,2,4,6-tetramethyl-1,3-dihydroindene?
The InChIKey is AOZZRIFMYYWXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl/c1-10-7-12-8-15(3,4)9-14(12)11(2)13(10)5-6-16/h7H,5-6,8-9H2,1-4H3.
What are the key properties of 5-(2-chloroethyl)-2,2,4,6-tetramethyl-1,3-dihydroindene?
5-(2-chloroethyl)-2,2,4,6-tetramethyl-1,3-dihydroindene has a molecular weight of 236.79 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroethyl)-2,2,4,6-tetramethyl-1,3-dihydroindene is sourced from PubChem (CID 10776235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).