1,3-bis(2-ethylhexyl)-1H-indene

C25H40 — CID 582598

IUPAC1,3-bis(2-ethylhexyl)-1H-indene
SMILESCCCCC(CC)CC1=CC(CC(CC)CCCC)c2ccccc21
InChIInChI=1S/C25H40/c1-5-9-13-20(7-3)17-22-19-23(18-21(8-4)14-10-6-2)25-16-12-11-15-24(22)25/h11-12,15-16,19-22H,5-10,13-14,17-18H2,1-4H3
InChIKeyGXBHZONSWFNKJP-UHFFFAOYSA-N
MW340.60 g/mol
LogP8.38
Rot. Bonds12

About 1,3-bis(2-ethylhexyl)-1H-indene

1,3-bis(2-ethylhexyl)-1H-indene (PubChem CID 582598) has the molecular formula C25H40 and a molecular weight of 340.60 g/mol. Its IUPAC name is 1,3-bis(2-ethylhexyl)-1H-indene.

Molecular Properties

Compound Name1,3-bis(2-ethylhexyl)-1H-indene
PubChem CID582598
Molecular FormulaC25H40
Molecular Weight340.60 g/mol
Exact Mass340.31
IUPAC Name1,3-bis(2-ethylhexyl)-1H-indene
SMILESCCCCC(CC)CC1=CC(CC(CC)CCCC)c2ccccc21
InChIInChI=1S/C25H40/c1-5-9-13-20(7-3)17-22-19-23(18-21(8-4)14-10-6-2)25-16-12-11-15-24(22)25/h11-12,15-16,19-22H,5-10,13-14,17-18H2,1-4H3
InChIKeyGXBHZONSWFNKJP-UHFFFAOYSA-N
XLogP8.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.60
LogP ≤ 58.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1-cyclohexyl-2-(2-ethylhexyl)benzene
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CID 175050846

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-ethylhexyl)-1H-indene?
The IUPAC name of 1,3-bis(2-ethylhexyl)-1H-indene (CID 582598) is 1,3-bis(2-ethylhexyl)-1H-indene.
What is the SMILES notation for 1,3-bis(2-ethylhexyl)-1H-indene?
The canonical SMILES for 1,3-bis(2-ethylhexyl)-1H-indene is CCCCC(CC)CC1=CC(CC(CC)CCCC)c2ccccc21.
What is the InChIKey of 1,3-bis(2-ethylhexyl)-1H-indene?
The InChIKey is GXBHZONSWFNKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40/c1-5-9-13-20(7-3)17-22-19-23(18-21(8-4)14-10-6-2)25-16-12-11-15-24(22)25/h11-12,15-16,19-22H,5-10,13-14,17-18H2,1-4H3.
What are the key properties of 1,3-bis(2-ethylhexyl)-1H-indene?
1,3-bis(2-ethylhexyl)-1H-indene has a molecular weight of 340.60 g/mol, XLogP of 8.38, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-ethylhexyl)-1H-indene is sourced from PubChem (CID 582598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).