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

C15H18 — CID 174296931

IUPAC3-[(E)-but-2-enyl]-1,1-dimethylindene
SMILESC/C=C/CC1=CC(C)(C)c2ccccc21
InChIInChI=1S/C15H18/c1-4-5-8-12-11-15(2,3)14-10-7-6-9-13(12)14/h4-7,9-11H,8H2,1-3H3/b5-4+
InChIKeyFPHVDTXJOCSZBS-SNAWJCMRSA-N
MW198.31 g/mol
LogP4.33
Rot. Bonds2

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

3-[(E)-but-2-enyl]-1,1-dimethylindene (PubChem CID 174296931) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-[(E)-but-2-enyl]-1,1-dimethylindene.

Molecular Properties

Compound Name3-[(E)-but-2-enyl]-1,1-dimethylindene
PubChem CID174296931
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Name3-[(E)-but-2-enyl]-1,1-dimethylindene
SMILESC/C=C/CC1=CC(C)(C)c2ccccc21
InChIInChI=1S/C15H18/c1-4-5-8-12-11-15(2,3)14-10-7-6-9-13(12)14/h4-7,9-11H,8H2,1-3H3/b5-4+
InChIKeyFPHVDTXJOCSZBS-SNAWJCMRSA-N
XLogP4.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 54.33
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 3-[(E)-but-2-enyl]-1,1-dimethylindene?
The IUPAC name of 3-[(E)-but-2-enyl]-1,1-dimethylindene (CID 174296931) is 3-[(E)-but-2-enyl]-1,1-dimethylindene.
What is the SMILES notation for 3-[(E)-but-2-enyl]-1,1-dimethylindene?
The canonical SMILES for 3-[(E)-but-2-enyl]-1,1-dimethylindene is C/C=C/CC1=CC(C)(C)c2ccccc21.
What is the InChIKey of 3-[(E)-but-2-enyl]-1,1-dimethylindene?
The InChIKey is FPHVDTXJOCSZBS-SNAWJCMRSA-N. The full InChI is InChI=1S/C15H18/c1-4-5-8-12-11-15(2,3)14-10-7-6-9-13(12)14/h4-7,9-11H,8H2,1-3H3/b5-4+.
What are the key properties of 3-[(E)-but-2-enyl]-1,1-dimethylindene?
3-[(E)-but-2-enyl]-1,1-dimethylindene has a molecular weight of 198.31 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-but-2-enyl]-1,1-dimethylindene is sourced from PubChem (CID 174296931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).