4-deuterio-6-hexyl-5-methyl-2,3-dihydro-1H-indene

C16H24 — CID 59068050

IUPAC4-deuterio-6-hexyl-5-methyl-2,3-dihydro-1H-indene
SMILES[2H]c1c(C)c(CCCCCC)cc2c1CCC2
InChIInChI=1S/C16H24/c1-3-4-5-6-8-14-12-16-10-7-9-15(16)11-13(14)2/h11-12H,3-10H2,1-2H3/i11D
InChIKeyZGKAXQBBPFDONE-WORMITQPSA-N
MW217.37 g/mol
LogP4.61
Rot. Bonds5

About 4-deuterio-6-hexyl-5-methyl-2,3-dihydro-1H-indene

4-deuterio-6-hexyl-5-methyl-2,3-dihydro-1H-indene (PubChem CID 59068050) has the molecular formula C16H24 and a molecular weight of 217.37 g/mol. Its IUPAC name is 4-deuterio-6-hexyl-5-methyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name4-deuterio-6-hexyl-5-methyl-2,3-dihydro-1H-indene
PubChem CID59068050
Molecular FormulaC16H24
Molecular Weight217.37 g/mol
Exact Mass217.19
IUPAC Name4-deuterio-6-hexyl-5-methyl-2,3-dihydro-1H-indene
SMILES[2H]c1c(C)c(CCCCCC)cc2c1CCC2
InChIInChI=1S/C16H24/c1-3-4-5-6-8-14-12-16-10-7-9-15(16)11-13(14)2/h11-12H,3-10H2,1-2H3/i11D
InChIKeyZGKAXQBBPFDONE-WORMITQPSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.37
LogP ≤ 54.61
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 90895714
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CID 86046523
4,6-dibutyl-2,3-dihydro-1H-inden-5-ol
CID 154132660
2-(3-hexyl-5,6,7,8-tetrahydronaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11313863
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2,4-dimethyl-5-pentadecylphenol
CID 166008290
1-decyl-2,3,4,5-tetramethylbenzene
CID 150356555
4-ethyl-2-hexyl-1-methylbenzene
CID 54443410
7-octyl-1,2,3,4-tetrahydroquinoline
CID 106778470
2,3,6,7,9,10-hexaheptylanthracene
CID 14089080
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CID 90943000
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CID 159893574

Frequently Asked Questions

What is the IUPAC name of 4-deuterio-6-hexyl-5-methyl-2,3-dihydro-1H-indene?
The IUPAC name of 4-deuterio-6-hexyl-5-methyl-2,3-dihydro-1H-indene (CID 59068050) is 4-deuterio-6-hexyl-5-methyl-2,3-dihydro-1H-indene.
What is the SMILES notation for 4-deuterio-6-hexyl-5-methyl-2,3-dihydro-1H-indene?
The canonical SMILES for 4-deuterio-6-hexyl-5-methyl-2,3-dihydro-1H-indene is [2H]c1c(C)c(CCCCCC)cc2c1CCC2.
What is the InChIKey of 4-deuterio-6-hexyl-5-methyl-2,3-dihydro-1H-indene?
The InChIKey is ZGKAXQBBPFDONE-WORMITQPSA-N. The full InChI is InChI=1S/C16H24/c1-3-4-5-6-8-14-12-16-10-7-9-15(16)11-13(14)2/h11-12H,3-10H2,1-2H3/i11D.
What are the key properties of 4-deuterio-6-hexyl-5-methyl-2,3-dihydro-1H-indene?
4-deuterio-6-hexyl-5-methyl-2,3-dihydro-1H-indene has a molecular weight of 217.37 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-deuterio-6-hexyl-5-methyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 59068050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).