2-[2-(2,3,3a,7a-tetrahydro-1H-inden-2-yl)ethyl]-2,3,3a,7a-tetrahydro-1H-indene

C20H26 — CID 18402034

IUPAC2-[2-(2,3,3a,7a-tetrahydro-1H-inden-2-yl)ethyl]-2,3,3a,7a-tetrahydro-1H-indene
SMILESC1=CC2CC(CCC3CC4C=CC=CC4C3)CC2C=C1
InChIInChI=1S/C20H26/c1-2-6-18-12-15(11-17(18)5-1)9-10-16-13-19-7-3-4-8-20(19)14-16/h1-8,15-20H,9-14H2
InChIKeyXGQPFGNUQURKHP-UHFFFAOYSA-N
MW266.43 g/mol
LogP5.30
Rot. Bonds3

About 2-[2-(2,3,3a,7a-tetrahydro-1H-inden-2-yl)ethyl]-2,3,3a,7a-tetrahydro-1H-indene

2-[2-(2,3,3a,7a-tetrahydro-1H-inden-2-yl)ethyl]-2,3,3a,7a-tetrahydro-1H-indene (PubChem CID 18402034) has the molecular formula C20H26 and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-[2-(2,3,3a,7a-tetrahydro-1H-inden-2-yl)ethyl]-2,3,3a,7a-tetrahydro-1H-indene.

Molecular Properties

Compound Name2-[2-(2,3,3a,7a-tetrahydro-1H-inden-2-yl)ethyl]-2,3,3a,7a-tetrahydro-1H-indene
PubChem CID18402034
Molecular FormulaC20H26
Molecular Weight266.43 g/mol
Exact Mass266.20
IUPAC Name2-[2-(2,3,3a,7a-tetrahydro-1H-inden-2-yl)ethyl]-2,3,3a,7a-tetrahydro-1H-indene
SMILESC1=CC2CC(CCC3CC4C=CC=CC4C3)CC2C=C1
InChIInChI=1S/C20H26/c1-2-6-18-12-15(11-17(18)5-1)9-10-16-13-19-7-3-4-8-20(19)14-16/h1-8,15-20H,9-14H2
InChIKeyXGQPFGNUQURKHP-UHFFFAOYSA-N
XLogP5.30
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 ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3,3a,7a-tetrahydro-1H-inden-2-yl)ethyl]-2,3,3a,7a-tetrahydro-1H-indene?
The IUPAC name of 2-[2-(2,3,3a,7a-tetrahydro-1H-inden-2-yl)ethyl]-2,3,3a,7a-tetrahydro-1H-indene (CID 18402034) is 2-[2-(2,3,3a,7a-tetrahydro-1H-inden-2-yl)ethyl]-2,3,3a,7a-tetrahydro-1H-indene.
What is the SMILES notation for 2-[2-(2,3,3a,7a-tetrahydro-1H-inden-2-yl)ethyl]-2,3,3a,7a-tetrahydro-1H-indene?
The canonical SMILES for 2-[2-(2,3,3a,7a-tetrahydro-1H-inden-2-yl)ethyl]-2,3,3a,7a-tetrahydro-1H-indene is C1=CC2CC(CCC3CC4C=CC=CC4C3)CC2C=C1.
What is the InChIKey of 2-[2-(2,3,3a,7a-tetrahydro-1H-inden-2-yl)ethyl]-2,3,3a,7a-tetrahydro-1H-indene?
The InChIKey is XGQPFGNUQURKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26/c1-2-6-18-12-15(11-17(18)5-1)9-10-16-13-19-7-3-4-8-20(19)14-16/h1-8,15-20H,9-14H2.
What are the key properties of 2-[2-(2,3,3a,7a-tetrahydro-1H-inden-2-yl)ethyl]-2,3,3a,7a-tetrahydro-1H-indene?
2-[2-(2,3,3a,7a-tetrahydro-1H-inden-2-yl)ethyl]-2,3,3a,7a-tetrahydro-1H-indene has a molecular weight of 266.43 g/mol, XLogP of 5.30, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3,3a,7a-tetrahydro-1H-inden-2-yl)ethyl]-2,3,3a,7a-tetrahydro-1H-indene is sourced from PubChem (CID 18402034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).