3-(dicyclopentylmethyl)-1H-indene

C20H26 — CID 22595389

IUPAC3-(dicyclopentylmethyl)-1H-indene
SMILESC1=C(C(C2CCCC2)C2CCCC2)c2ccccc2C1
InChIInChI=1S/C20H26/c1-2-9-16(8-1)20(17-10-3-4-11-17)19-14-13-15-7-5-6-12-18(15)19/h5-7,12,14,16-17,20H,1-4,8-11,13H2
InChIKeyWOVMYNXMKOEFFT-UHFFFAOYSA-N
MW266.43 g/mol
LogP5.62
Rot. Bonds3

About 3-(dicyclopentylmethyl)-1H-indene

3-(dicyclopentylmethyl)-1H-indene (PubChem CID 22595389) has the molecular formula C20H26 and a molecular weight of 266.43 g/mol. Its IUPAC name is 3-(dicyclopentylmethyl)-1H-indene.

Molecular Properties

Compound Name3-(dicyclopentylmethyl)-1H-indene
PubChem CID22595389
Molecular FormulaC20H26
Molecular Weight266.43 g/mol
Exact Mass266.20
IUPAC Name3-(dicyclopentylmethyl)-1H-indene
SMILESC1=C(C(C2CCCC2)C2CCCC2)c2ccccc2C1
InChIInChI=1S/C20H26/c1-2-9-16(8-1)20(17-10-3-4-11-17)19-14-13-15-7-5-6-12-18(15)19/h5-7,12,14,16-17,20H,1-4,8-11,13H2
InChIKeyWOVMYNXMKOEFFT-UHFFFAOYSA-N
XLogP5.62
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 ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-(dicyclopentylmethyl)-1H-indene?
The IUPAC name of 3-(dicyclopentylmethyl)-1H-indene (CID 22595389) is 3-(dicyclopentylmethyl)-1H-indene.
What is the SMILES notation for 3-(dicyclopentylmethyl)-1H-indene?
The canonical SMILES for 3-(dicyclopentylmethyl)-1H-indene is C1=C(C(C2CCCC2)C2CCCC2)c2ccccc2C1.
What is the InChIKey of 3-(dicyclopentylmethyl)-1H-indene?
The InChIKey is WOVMYNXMKOEFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26/c1-2-9-16(8-1)20(17-10-3-4-11-17)19-14-13-15-7-5-6-12-18(15)19/h5-7,12,14,16-17,20H,1-4,8-11,13H2.
What are the key properties of 3-(dicyclopentylmethyl)-1H-indene?
3-(dicyclopentylmethyl)-1H-indene has a molecular weight of 266.43 g/mol, XLogP of 5.62, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dicyclopentylmethyl)-1H-indene is sourced from PubChem (CID 22595389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).