2,5,6-tris(prop-2-enyl)-1H-indene

C18H20 — CID 173141663

IUPAC2,5,6-tris(prop-2-enyl)-1H-indene
SMILESC=CCC1=Cc2cc(CC=C)c(CC=C)cc2C1
InChIInChI=1S/C18H20/c1-4-7-14-10-17-12-15(8-5-2)16(9-6-3)13-18(17)11-14/h4-6,10,12-13H,1-3,7-9,11H2
InChIKeyNXRUHOSTBRKUCV-UHFFFAOYSA-N
MW236.36 g/mol
LogP4.66
Rot. Bonds6

About 2,5,6-tris(prop-2-enyl)-1H-indene

2,5,6-tris(prop-2-enyl)-1H-indene (PubChem CID 173141663) has the molecular formula C18H20 and a molecular weight of 236.36 g/mol. Its IUPAC name is 2,5,6-tris(prop-2-enyl)-1H-indene.

Molecular Properties

Compound Name2,5,6-tris(prop-2-enyl)-1H-indene
PubChem CID173141663
Molecular FormulaC18H20
Molecular Weight236.36 g/mol
Exact Mass236.16
IUPAC Name2,5,6-tris(prop-2-enyl)-1H-indene
SMILESC=CCC1=Cc2cc(CC=C)c(CC=C)cc2C1
InChIInChI=1S/C18H20/c1-4-7-14-10-17-12-15(8-5-2)16(9-6-3)13-18(17)11-14/h4-6,10,12-13H,1-3,7-9,11H2
InChIKeyNXRUHOSTBRKUCV-UHFFFAOYSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 54.66
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

2,3,9,10-tetrakis(prop-2-enyl)pentacene
CID 173239709
2-ethyl-4-prop-2-enyl-1H-indene
CID 173192887
6-[4-[2-(4-butan-2-yl-3-iodophenyl)ethynyl]phenyl]-2-prop-2-enyl-1H-indene
CID 174350479
2,4,5-tris(prop-2-enyl)phenol
CID 20562879
5,6-diethyl-2-methyl-1H-indene
CID 54575769
3-prop-2-enylcyclopent-2-en-1-one
CID 11988999
2-[bis(prop-2-enyl)amino]-4,5-bis(prop-2-enyl)phenol
CID 67813640
1-(2-hydroxy-3-prop-2-enyl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-prop-2-enyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 102573654
6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol
CID 14484886
2,4-bis(prop-2-enyl)-9H-thioxanthene
CID 68570426
CID 173256635
CID 173256635
1,4,5,8-tetrakis(prop-2-enyl)-1,2,3,4-tetrahydronaphthalene
CID 173308168

Frequently Asked Questions

What is the IUPAC name of 2,5,6-tris(prop-2-enyl)-1H-indene?
The IUPAC name of 2,5,6-tris(prop-2-enyl)-1H-indene (CID 173141663) is 2,5,6-tris(prop-2-enyl)-1H-indene.
What is the SMILES notation for 2,5,6-tris(prop-2-enyl)-1H-indene?
The canonical SMILES for 2,5,6-tris(prop-2-enyl)-1H-indene is C=CCC1=Cc2cc(CC=C)c(CC=C)cc2C1.
What is the InChIKey of 2,5,6-tris(prop-2-enyl)-1H-indene?
The InChIKey is NXRUHOSTBRKUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20/c1-4-7-14-10-17-12-15(8-5-2)16(9-6-3)13-18(17)11-14/h4-6,10,12-13H,1-3,7-9,11H2.
What are the key properties of 2,5,6-tris(prop-2-enyl)-1H-indene?
2,5,6-tris(prop-2-enyl)-1H-indene has a molecular weight of 236.36 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-tris(prop-2-enyl)-1H-indene is sourced from PubChem (CID 173141663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).