2-[(E)-but-2-enyl]-2-ethyl-1,3-dihydroindene

C15H20 — CID 174634333

IUPAC2-[(E)-but-2-enyl]-2-ethyl-1,3-dihydroindene
SMILESC/C=C/CC1(CC)Cc2ccccc2C1
InChIInChI=1S/C15H20/c1-3-5-10-15(4-2)11-13-8-6-7-9-14(13)12-15/h3,5-9H,4,10-12H2,1-2H3/b5-3+
InChIKeyKRJHKPWMVIIQLS-HWKANZROSA-N
MW200.33 g/mol
LogP4.15
Rot. Bonds3

About 2-[(E)-but-2-enyl]-2-ethyl-1,3-dihydroindene

2-[(E)-but-2-enyl]-2-ethyl-1,3-dihydroindene (PubChem CID 174634333) has the molecular formula C15H20 and a molecular weight of 200.33 g/mol. Its IUPAC name is 2-[(E)-but-2-enyl]-2-ethyl-1,3-dihydroindene.

Molecular Properties

Compound Name2-[(E)-but-2-enyl]-2-ethyl-1,3-dihydroindene
PubChem CID174634333
Molecular FormulaC15H20
Molecular Weight200.33 g/mol
Exact Mass200.16
IUPAC Name2-[(E)-but-2-enyl]-2-ethyl-1,3-dihydroindene
SMILESC/C=C/CC1(CC)Cc2ccccc2C1
InChIInChI=1S/C15H20/c1-3-5-10-15(4-2)11-13-8-6-7-9-14(13)12-15/h3,5-9H,4,10-12H2,1-2H3/b5-3+
InChIKeyKRJHKPWMVIIQLS-HWKANZROSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-but-2-enyl]-2-ethyl-1,3-dihydroindene?
The IUPAC name of 2-[(E)-but-2-enyl]-2-ethyl-1,3-dihydroindene (CID 174634333) is 2-[(E)-but-2-enyl]-2-ethyl-1,3-dihydroindene.
What is the SMILES notation for 2-[(E)-but-2-enyl]-2-ethyl-1,3-dihydroindene?
The canonical SMILES for 2-[(E)-but-2-enyl]-2-ethyl-1,3-dihydroindene is C/C=C/CC1(CC)Cc2ccccc2C1.
What is the InChIKey of 2-[(E)-but-2-enyl]-2-ethyl-1,3-dihydroindene?
The InChIKey is KRJHKPWMVIIQLS-HWKANZROSA-N. The full InChI is InChI=1S/C15H20/c1-3-5-10-15(4-2)11-13-8-6-7-9-14(13)12-15/h3,5-9H,4,10-12H2,1-2H3/b5-3+.
What are the key properties of 2-[(E)-but-2-enyl]-2-ethyl-1,3-dihydroindene?
2-[(E)-but-2-enyl]-2-ethyl-1,3-dihydroindene has a molecular weight of 200.33 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-2-enyl]-2-ethyl-1,3-dihydroindene is sourced from PubChem (CID 174634333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).