2-ethenyl-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-methyl-1,3-dihydroindene

C19H22 — CID 167499533

IUPAC2-ethenyl-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-methyl-1,3-dihydroindene
SMILESC=C/C(=C\C=C/C)C1(C=C)Cc2ccc(C)cc2C1
InChIInChI=1S/C19H22/c1-5-8-9-18(6-2)19(7-3)13-16-11-10-15(4)12-17(16)14-19/h5-12H,2-3,13-14H2,1,4H3/b8-5-,18-9+
InChIKeyOLCQREGIRDQWHV-YSWHLYNJSA-N
MW250.38 g/mol
LogP4.95
Rot. Bonds4

About 2-ethenyl-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-methyl-1,3-dihydroindene

2-ethenyl-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-methyl-1,3-dihydroindene (PubChem CID 167499533) has the molecular formula C19H22 and a molecular weight of 250.38 g/mol. Its IUPAC name is 2-ethenyl-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-methyl-1,3-dihydroindene.

Molecular Properties

Compound Name2-ethenyl-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-methyl-1,3-dihydroindene
PubChem CID167499533
Molecular FormulaC19H22
Molecular Weight250.38 g/mol
Exact Mass250.17
IUPAC Name2-ethenyl-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-methyl-1,3-dihydroindene
SMILESC=C/C(=C\C=C/C)C1(C=C)Cc2ccc(C)cc2C1
InChIInChI=1S/C19H22/c1-5-8-9-18(6-2)19(7-3)13-16-11-10-15(4)12-17(16)14-19/h5-12H,2-3,13-14H2,1,4H3/b8-5-,18-9+
InChIKeyOLCQREGIRDQWHV-YSWHLYNJSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-ethenyl-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-methyl-1,3-dihydroindene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-methyl-1,3-dihydroindene?
The IUPAC name of 2-ethenyl-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-methyl-1,3-dihydroindene (CID 167499533) is 2-ethenyl-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-methyl-1,3-dihydroindene.
What is the SMILES notation for 2-ethenyl-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-methyl-1,3-dihydroindene?
The canonical SMILES for 2-ethenyl-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-methyl-1,3-dihydroindene is C=C/C(=C\C=C/C)C1(C=C)Cc2ccc(C)cc2C1.
What is the InChIKey of 2-ethenyl-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-methyl-1,3-dihydroindene?
The InChIKey is OLCQREGIRDQWHV-YSWHLYNJSA-N. The full InChI is InChI=1S/C19H22/c1-5-8-9-18(6-2)19(7-3)13-16-11-10-15(4)12-17(16)14-19/h5-12H,2-3,13-14H2,1,4H3/b8-5-,18-9+.
What are the key properties of 2-ethenyl-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-methyl-1,3-dihydroindene?
2-ethenyl-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-methyl-1,3-dihydroindene has a molecular weight of 250.38 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-methyl-1,3-dihydroindene is sourced from PubChem (CID 167499533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).