5-hexyl-4,7-dimethyl-2,3-dihydro-1H-indene

C17H26 — CID 90895714

IUPAC5-hexyl-4,7-dimethyl-2,3-dihydro-1H-indene
SMILESCCCCCCc1cc(C)c2c(c1C)CCC2
InChIInChI=1S/C17H26/c1-4-5-6-7-9-15-12-13(2)16-10-8-11-17(16)14(15)3/h12H,4-11H2,1-3H3
InChIKeyVATJBUABNCOLAZ-UHFFFAOYSA-N
MW230.39 g/mol
LogP4.91
Rot. Bonds5

About 5-hexyl-4,7-dimethyl-2,3-dihydro-1H-indene

5-hexyl-4,7-dimethyl-2,3-dihydro-1H-indene (PubChem CID 90895714) has the molecular formula C17H26 and a molecular weight of 230.39 g/mol. Its IUPAC name is 5-hexyl-4,7-dimethyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-hexyl-4,7-dimethyl-2,3-dihydro-1H-indene
PubChem CID90895714
Molecular FormulaC17H26
Molecular Weight230.39 g/mol
Exact Mass230.20
IUPAC Name5-hexyl-4,7-dimethyl-2,3-dihydro-1H-indene
SMILESCCCCCCc1cc(C)c2c(c1C)CCC2
InChIInChI=1S/C17H26/c1-4-5-6-7-9-15-12-13(2)16-10-8-11-17(16)14(15)3/h12H,4-11H2,1-3H3
InChIKeyVATJBUABNCOLAZ-UHFFFAOYSA-N
XLogP4.91
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 ≤ 54.91
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

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CID 86046523
4-deuterio-6-hexyl-5-methyl-2,3-dihydro-1H-indene
CID 59068050
6-hexyl-4,7-dimethyl-1,3-benzothiazole
CID 91133932
4-butyl-3,6-dimethylbenzene-1,2-diol
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CID 91610949
1,3,4-tributyl-2,5-dimethylbenzene
CID 150402952
4-dodecyl-6-methylbenzene-1,3-diamine
CID 70404899
5-ethyl-1,2,3-tri(tetracosyl)benzene
CID 90881176
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CID 123510060
4-ethyl-2-hexyl-1-methylbenzene
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Frequently Asked Questions

What is the IUPAC name of 5-hexyl-4,7-dimethyl-2,3-dihydro-1H-indene?
The IUPAC name of 5-hexyl-4,7-dimethyl-2,3-dihydro-1H-indene (CID 90895714) is 5-hexyl-4,7-dimethyl-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-hexyl-4,7-dimethyl-2,3-dihydro-1H-indene?
The canonical SMILES for 5-hexyl-4,7-dimethyl-2,3-dihydro-1H-indene is CCCCCCc1cc(C)c2c(c1C)CCC2.
What is the InChIKey of 5-hexyl-4,7-dimethyl-2,3-dihydro-1H-indene?
The InChIKey is VATJBUABNCOLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26/c1-4-5-6-7-9-15-12-13(2)16-10-8-11-17(16)14(15)3/h12H,4-11H2,1-3H3.
What are the key properties of 5-hexyl-4,7-dimethyl-2,3-dihydro-1H-indene?
5-hexyl-4,7-dimethyl-2,3-dihydro-1H-indene has a molecular weight of 230.39 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-4,7-dimethyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 90895714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).