1,3-didodecyl-1H-indene

C33H56 — CID 177256728

IUPAC1,3-didodecyl-1H-indene
SMILESCCCCCCCCCCCCC1=CC(CCCCCCCCCCCC)c2ccccc21
InChIInChI=1S/C33H56/c1-3-5-7-9-11-13-15-17-19-21-25-30-29-31(33-28-24-23-27-32(30)33)26-22-20-18-16-14-12-10-8-6-4-2/h23-24,27-30H,3-22,25-26H2,1-2H3
InChIKeyJBDHHDWPUDWMLJ-UHFFFAOYSA-N
MW452.81 g/mol
LogP11.79
Rot. Bonds22

About 1,3-didodecyl-1H-indene

1,3-didodecyl-1H-indene (PubChem CID 177256728) has the molecular formula C33H56 and a molecular weight of 452.81 g/mol. Its IUPAC name is 1,3-didodecyl-1H-indene.

Molecular Properties

Compound Name1,3-didodecyl-1H-indene
PubChem CID177256728
Molecular FormulaC33H56
Molecular Weight452.81 g/mol
Exact Mass452.44
IUPAC Name1,3-didodecyl-1H-indene
SMILESCCCCCCCCCCCCC1=CC(CCCCCCCCCCCC)c2ccccc21
InChIInChI=1S/C33H56/c1-3-5-7-9-11-13-15-17-19-21-25-30-29-31(33-28-24-23-27-32(30)33)26-22-20-18-16-14-12-10-8-6-4-2/h23-24,27-30H,3-22,25-26H2,1-2H3
InChIKeyJBDHHDWPUDWMLJ-UHFFFAOYSA-N
XLogP11.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds22
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.81
LogP ≤ 511.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-nonyl-9H-fluorene
CID 22568532
1,3-dihexylcyclopropene
CID 22621674
CID 140588742
CID 140588742
trimethyl-[[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-1H-inden-1-yl]methyl]silane
CID 178090504
1,3-bis(2-ethylhexyl)-1H-indene
CID 582598
CID 162143943
CID 162143943
N-[(3-hexyl-1H-inden-1-yl)-(3-pent-4-enyl-3H-inden-1-yl)boranyl]-N-propan-2-ylpropan-2-amine;N-[(3-hexyl-1H-inden-1-yl)-(3-prop-2-enyl-3H-inden-1-yl)boranyl]-N-propan-2-ylpropan-2-amine;N-[1H-inden-1-yl-(3-pent-4-enyl-3H-inden-1-yl)boranyl]-N-propan-2-ylpropan-2-amine;N-[1H-inden-1-yl-(3-prop-2-enyl-3H-inden-1-yl)boranyl]-N-propan-2-ylpropan-2-amine
CID 159683314
3-butyl-1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)sulfanyl-1H-indene
CID 139502762
3-octyl-3H-2-benzothiophen-1-one
CID 56970905
1-dodec-6-enyl-3-heptylcyclopropene
CID 123978294
4-hexyl-2-hydroxy-4H-isoquinoline-1,3-dione
CID 51041923
2-heptylnaphthalene-1,4-dione
CID 3016258

Frequently Asked Questions

What is the IUPAC name of 1,3-didodecyl-1H-indene?
The IUPAC name of 1,3-didodecyl-1H-indene (CID 177256728) is 1,3-didodecyl-1H-indene.
What is the SMILES notation for 1,3-didodecyl-1H-indene?
The canonical SMILES for 1,3-didodecyl-1H-indene is CCCCCCCCCCCCC1=CC(CCCCCCCCCCCC)c2ccccc21.
What is the InChIKey of 1,3-didodecyl-1H-indene?
The InChIKey is JBDHHDWPUDWMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H56/c1-3-5-7-9-11-13-15-17-19-21-25-30-29-31(33-28-24-23-27-32(30)33)26-22-20-18-16-14-12-10-8-6-4-2/h23-24,27-30H,3-22,25-26H2,1-2H3.
What are the key properties of 1,3-didodecyl-1H-indene?
1,3-didodecyl-1H-indene has a molecular weight of 452.81 g/mol, XLogP of 11.79, 22 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-didodecyl-1H-indene is sourced from PubChem (CID 177256728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).