4-[2-(4,5,6,7-tetrahydro-1H-inden-4-yl)ethyl]-4,5,6,7-tetrahydro-1H-indene

C20H26 — CID 57091499

IUPAC4-[2-(4,5,6,7-tetrahydro-1H-inden-4-yl)ethyl]-4,5,6,7-tetrahydro-1H-indene
SMILESC1=CC2=C(C1)CCCC2CCC1CCCC2=C1C=CC2
InChIInChI=1S/C20H26/c1-5-15-9-3-11-19(15)17(7-1)13-14-18-8-2-6-16-10-4-12-20(16)18/h3-4,11-12,17-18H,1-2,5-10,13-14H2
InChIKeyRNYVAGGPVMVFNC-UHFFFAOYSA-N
MW266.43 g/mol
LogP5.88
Rot. Bonds3

About 4-[2-(4,5,6,7-tetrahydro-1H-inden-4-yl)ethyl]-4,5,6,7-tetrahydro-1H-indene

4-[2-(4,5,6,7-tetrahydro-1H-inden-4-yl)ethyl]-4,5,6,7-tetrahydro-1H-indene (PubChem CID 57091499) has the molecular formula C20H26 and a molecular weight of 266.43 g/mol. Its IUPAC name is 4-[2-(4,5,6,7-tetrahydro-1H-inden-4-yl)ethyl]-4,5,6,7-tetrahydro-1H-indene.

Molecular Properties

Compound Name4-[2-(4,5,6,7-tetrahydro-1H-inden-4-yl)ethyl]-4,5,6,7-tetrahydro-1H-indene
PubChem CID57091499
Molecular FormulaC20H26
Molecular Weight266.43 g/mol
Exact Mass266.20
IUPAC Name4-[2-(4,5,6,7-tetrahydro-1H-inden-4-yl)ethyl]-4,5,6,7-tetrahydro-1H-indene
SMILESC1=CC2=C(C1)CCCC2CCC1CCCC2=C1C=CC2
InChIInChI=1S/C20H26/c1-5-15-9-3-11-19(15)17(7-1)13-14-18-8-2-6-16-10-4-12-20(16)18/h3-4,11-12,17-18H,1-2,5-10,13-14H2
InChIKeyRNYVAGGPVMVFNC-UHFFFAOYSA-N
XLogP5.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.43
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4,5,6,7-tetrahydro-1H-inden-4-yl)ethyl]-4,5,6,7-tetrahydro-1H-indene?
The IUPAC name of 4-[2-(4,5,6,7-tetrahydro-1H-inden-4-yl)ethyl]-4,5,6,7-tetrahydro-1H-indene (CID 57091499) is 4-[2-(4,5,6,7-tetrahydro-1H-inden-4-yl)ethyl]-4,5,6,7-tetrahydro-1H-indene.
What is the SMILES notation for 4-[2-(4,5,6,7-tetrahydro-1H-inden-4-yl)ethyl]-4,5,6,7-tetrahydro-1H-indene?
The canonical SMILES for 4-[2-(4,5,6,7-tetrahydro-1H-inden-4-yl)ethyl]-4,5,6,7-tetrahydro-1H-indene is C1=CC2=C(C1)CCCC2CCC1CCCC2=C1C=CC2.
What is the InChIKey of 4-[2-(4,5,6,7-tetrahydro-1H-inden-4-yl)ethyl]-4,5,6,7-tetrahydro-1H-indene?
The InChIKey is RNYVAGGPVMVFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26/c1-5-15-9-3-11-19(15)17(7-1)13-14-18-8-2-6-16-10-4-12-20(16)18/h3-4,11-12,17-18H,1-2,5-10,13-14H2.
What are the key properties of 4-[2-(4,5,6,7-tetrahydro-1H-inden-4-yl)ethyl]-4,5,6,7-tetrahydro-1H-indene?
4-[2-(4,5,6,7-tetrahydro-1H-inden-4-yl)ethyl]-4,5,6,7-tetrahydro-1H-indene has a molecular weight of 266.43 g/mol, XLogP of 5.88, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4,5,6,7-tetrahydro-1H-inden-4-yl)ethyl]-4,5,6,7-tetrahydro-1H-indene is sourced from PubChem (CID 57091499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).