4-[6-[(2-methylpropan-2-yl)oxy]hexyl]-1H-indene

Name: 4-[6-[(2-methylpropan-2-yl)oxy]hexyl]-1H-indene — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₉H₂₈O — CID 142734727

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC4-[6-[(2-methylpropan-2-yl)oxy]hexyl]-1H-indene

SMILESCC(C)(C)OCCCCCCc1cccc2c1C=CC2

InChIInChI=1S/C19H28O/c1-19(2,3)20-15-7-5-4-6-10-16-11-8-12-17-13-9-14-18(16)17/h8-9,11-12,14H,4-7,10,13,15H2,1-3H3

InChIKeyVSNLCWFJFNANNR-UHFFFAOYSA-N

MW272.43 g/mol

LogP5.17

Rot. Bonds7

About 4-[6-[(2-methylpropan-2-yl)oxy]hexyl]-1H-indene

4-[6-[(2-methylpropan-2-yl)oxy]hexyl]-1H-indene (PubChem CID 142734727) has the molecular formula C₁₉H₂₈O and a molecular weight of 272.43 g/mol. Its IUPAC name is 4-[6-[(2-methylpropan-2-yl)oxy]hexyl]-1H-indene.

Molecular Properties

Compound Name	4-[6-[(2-methylpropan-2-yl)oxy]hexyl]-1H-indene
PubChem CID	142734727
Molecular Formula	C₁₉H₂₈O
Molecular Weight	272.43 g/mol
Exact Mass	272.21
IUPAC Name	4-[6-[(2-methylpropan-2-yl)oxy]hexyl]-1H-indene
SMILES	CC(C)(C)OCCCCCCc1cccc2c1C=CC2
InChI	InChI=1S/C19H28O/c1-19(2,3)20-15-7-5-4-6-10-16-11-8-12-17-13-9-14-18(16)17/h8-9,11-12,14H,4-7,10,13,15H2,1-3H3
InChIKey	VSNLCWFJFNANNR-UHFFFAOYSA-N
XLogP	5.17
TPSA	9.23 Å²
H-Bond Donors
H-Bond Acceptors	1
Rotatable Bonds	7
Heavy Atoms	20
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	272.43
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(2-methylpropan-2-yl)oxy]hexyl]-1H-indene?

The IUPAC name of 4-[6-[(2-methylpropan-2-yl)oxy]hexyl]-1H-indene (CID 142734727) is 4-[6-[(2-methylpropan-2-yl)oxy]hexyl]-1H-indene.

What is the SMILES notation for 4-[6-[(2-methylpropan-2-yl)oxy]hexyl]-1H-indene?

The canonical SMILES for 4-[6-[(2-methylpropan-2-yl)oxy]hexyl]-1H-indene is CC(C)(C)OCCCCCCc1cccc2c1C=CC2.

What is the InChIKey of 4-[6-[(2-methylpropan-2-yl)oxy]hexyl]-1H-indene?

The InChIKey is VSNLCWFJFNANNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O/c1-19(2,3)20-15-7-5-4-6-10-16-11-8-12-17-13-9-14-18(16)17/h8-9,11-12,14H,4-7,10,13,15H2,1-3H3.

What are the key properties of 4-[6-[(2-methylpropan-2-yl)oxy]hexyl]-1H-indene?

4-[6-[(2-methylpropan-2-yl)oxy]hexyl]-1H-indene has a molecular weight of 272.43 g/mol, XLogP of 5.17, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[(2-methylpropan-2-yl)oxy]hexyl]-1H-indene is sourced from PubChem (CID 142734727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 142734727 — identifiers, structure, computed properties (public domain)

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