3,3,4,4-tetrakis(prop-2-enyl)-1,2-dihydronaphthalene

C22H28 — CID 173371645

IUPAC3,3,4,4-tetrakis(prop-2-enyl)-1,2-dihydronaphthalene
SMILESC=CCC1(CC=C)CCc2ccccc2C1(CC=C)CC=C
InChIInChI=1S/C22H28/c1-5-14-21(15-6-2)18-13-19-11-9-10-12-20(19)22(21,16-7-3)17-8-4/h5-12H,1-4,13-18H2
InChIKeyMCJJHHVKPJLXPV-UHFFFAOYSA-N
MW292.47 g/mol
LogP6.16
Rot. Bonds8

About 3,3,4,4-tetrakis(prop-2-enyl)-1,2-dihydronaphthalene

3,3,4,4-tetrakis(prop-2-enyl)-1,2-dihydronaphthalene (PubChem CID 173371645) has the molecular formula C22H28 and a molecular weight of 292.47 g/mol. Its IUPAC name is 3,3,4,4-tetrakis(prop-2-enyl)-1,2-dihydronaphthalene.

Molecular Properties

Compound Name3,3,4,4-tetrakis(prop-2-enyl)-1,2-dihydronaphthalene
PubChem CID173371645
Molecular FormulaC22H28
Molecular Weight292.47 g/mol
Exact Mass292.22
IUPAC Name3,3,4,4-tetrakis(prop-2-enyl)-1,2-dihydronaphthalene
SMILESC=CCC1(CC=C)CCc2ccccc2C1(CC=C)CC=C
InChIInChI=1S/C22H28/c1-5-14-21(15-6-2)18-13-19-11-9-10-12-20(19)22(21,16-7-3)17-8-4/h5-12H,1-4,13-18H2
InChIKeyMCJJHHVKPJLXPV-UHFFFAOYSA-N
XLogP6.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.47
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-3-prop-2-enyl-1,2-dihydroindene
CID 85427456
(7R)-7-prop-2-enylbicyclo[4.2.0]octa-1,3,5-trien-7-ol
CID 100988172
(E)-3-(2-prop-2-enyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)prop-2-en-1-ol
CID 19079047
4,4-bis(prop-2-enyl)-1H-naphthalene
CID 10353080
3,3-bis(3-methylbut-2-enyl)-1,2-dihydroindene
CID 91599532
1-(2-ethenyl-1,3-dihydroinden-2-yl)-1,3,3-tris(prop-2-enyl)-2H-indene
CID 173092791
(1S)-1-phenyl-1-prop-2-enyl-3,4-dihydroisoquinoline-2-carboxylic acid
CID 67438482
3-chloro-3-fluoro-1,2-dihydroindene
CID 13405902
(2R)-2-hydroxy-2-prop-2-enyl-3,4-dihydronaphthalen-1-one
CID 100988945
(2S)-2-methyl-2-prop-2-enyl-3,4-dihydronaphthalen-1-one
CID 45096682
2-pent-4-enyl-2-prop-2-enyl-3,4-dihydronaphthalen-1-one
CID 162736648
2-[(1R)-2-methyl-1-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-yl]propanedinitrile
CID 101147170

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4-tetrakis(prop-2-enyl)-1,2-dihydronaphthalene?
The IUPAC name of 3,3,4,4-tetrakis(prop-2-enyl)-1,2-dihydronaphthalene (CID 173371645) is 3,3,4,4-tetrakis(prop-2-enyl)-1,2-dihydronaphthalene.
What is the SMILES notation for 3,3,4,4-tetrakis(prop-2-enyl)-1,2-dihydronaphthalene?
The canonical SMILES for 3,3,4,4-tetrakis(prop-2-enyl)-1,2-dihydronaphthalene is C=CCC1(CC=C)CCc2ccccc2C1(CC=C)CC=C.
What is the InChIKey of 3,3,4,4-tetrakis(prop-2-enyl)-1,2-dihydronaphthalene?
The InChIKey is MCJJHHVKPJLXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28/c1-5-14-21(15-6-2)18-13-19-11-9-10-12-20(19)22(21,16-7-3)17-8-4/h5-12H,1-4,13-18H2.
What are the key properties of 3,3,4,4-tetrakis(prop-2-enyl)-1,2-dihydronaphthalene?
3,3,4,4-tetrakis(prop-2-enyl)-1,2-dihydronaphthalene has a molecular weight of 292.47 g/mol, XLogP of 6.16, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4-tetrakis(prop-2-enyl)-1,2-dihydronaphthalene is sourced from PubChem (CID 173371645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).