5-hexyl-2,4-dimethyl-2,3-dihydro-1H-indene

C17H26 — CID 91013962

IUPAC5-hexyl-2,4-dimethyl-2,3-dihydro-1H-indene
SMILESCCCCCCc1ccc2c(c1C)CC(C)C2
InChIInChI=1S/C17H26/c1-4-5-6-7-8-15-9-10-16-11-13(2)12-17(16)14(15)3/h9-10,13H,4-8,11-12H2,1-3H3
InChIKeyATTNZDUQDAZAKT-UHFFFAOYSA-N
MW230.39 g/mol
LogP4.85
Rot. Bonds5

About 5-hexyl-2,4-dimethyl-2,3-dihydro-1H-indene

5-hexyl-2,4-dimethyl-2,3-dihydro-1H-indene (PubChem CID 91013962) has the molecular formula C17H26 and a molecular weight of 230.39 g/mol. Its IUPAC name is 5-hexyl-2,4-dimethyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-hexyl-2,4-dimethyl-2,3-dihydro-1H-indene
PubChem CID91013962
Molecular FormulaC17H26
Molecular Weight230.39 g/mol
Exact Mass230.20
IUPAC Name5-hexyl-2,4-dimethyl-2,3-dihydro-1H-indene
SMILESCCCCCCc1ccc2c(c1C)CC(C)C2
InChIInChI=1S/C17H26/c1-4-5-6-7-8-15-9-10-16-11-13(2)12-17(16)14(15)3/h9-10,13H,4-8,11-12H2,1-3H3
InChIKeyATTNZDUQDAZAKT-UHFFFAOYSA-N
XLogP4.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.39
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethyl-1,4-dipentylbenzene
CID 54478491
5-butyl-4-methyl-2,3-dihydro-1H-indene
CID 86046523
azane;1-(chloromethyl)-2,3-dimethyl-4-octylbenzene
CID 67829862
heptane;2-methyl-2,3-dihydro-1H-inden-5-ol
CID 144683949
azane;1-decyl-2,3-dimethylbenzene;hydrate
CID 174675361
2,4-dihexyl-3-methylaniline
CID 174875923
1,2,3-tri(icosyl)benzene
CID 90987509
1-dodecyl-2-octyl-3-tridecylbenzene
CID 175505104
1,2-dimethyl-3,4-dioctylbenzene
CID 175311687
2-decyl-1-methylnaphthalene
CID 154261310
3-heptyl-7-hexyl-4,6-dimethyldibenzothiophene
CID 118460566
1,2-dimethyl-3-octadecylbenzene;methanamine;hydrobromide
CID 174529891

Frequently Asked Questions

What is the IUPAC name of 5-hexyl-2,4-dimethyl-2,3-dihydro-1H-indene?
The IUPAC name of 5-hexyl-2,4-dimethyl-2,3-dihydro-1H-indene (CID 91013962) is 5-hexyl-2,4-dimethyl-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-hexyl-2,4-dimethyl-2,3-dihydro-1H-indene?
The canonical SMILES for 5-hexyl-2,4-dimethyl-2,3-dihydro-1H-indene is CCCCCCc1ccc2c(c1C)CC(C)C2.
What is the InChIKey of 5-hexyl-2,4-dimethyl-2,3-dihydro-1H-indene?
The InChIKey is ATTNZDUQDAZAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26/c1-4-5-6-7-8-15-9-10-16-11-13(2)12-17(16)14(15)3/h9-10,13H,4-8,11-12H2,1-3H3.
What are the key properties of 5-hexyl-2,4-dimethyl-2,3-dihydro-1H-indene?
5-hexyl-2,4-dimethyl-2,3-dihydro-1H-indene has a molecular weight of 230.39 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-2,4-dimethyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 91013962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).