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

C19H28O — CID 142734727

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 Name4-[6-[(2-methylpropan-2-yl)oxy]hexyl]-1H-indene
PubChem CID142734727
Molecular FormulaC19H28O
Molecular Weight272.43 g/mol
Exact Mass272.21
IUPAC Name4-[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
XLogP5.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.43
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-propyl-1H-indene
CID 18314956
3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-1H-indene
CID 129304045
4-[(2-methylpropan-2-yl)oxy]butylbenzene
CID 14937175
1-methyl-3-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene
CID 134285425
bis(1-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene);titanium(2+)
CID 175026738
4-(4-tert-butylphenyl)-2-methyl-3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-1H-indene
CID 162768247
5-cyclopentylidene-2-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene
CID 178090513
5-(6-methoxyhexyl)-1,2,3,4-tetrahydronaphthalene
CID 67275379
1H-inden-4-amine;methanamine
CID 174766313
3-(8,8-dimethylnonyl)-N-[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-2,4-dien-1-yl]cyclopenta-2,4-dien-1-amine
CID 145170288
2,2-dimethylpropane;1H-indene
CID 91444603
4-(cyclopenta-2,4-dien-1-ylmethyl)-1H-indene;2-[2-(1H-inden-4-yl)propan-2-yl]-2,4,5,6,7,8-hexahydroazulene
CID 157481763

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).