2-ethyl-6-(4-hexylcyclohexyl)-1,2,3,4-tetrahydronaphthalene

C24H38 — CID 20500147

IUPAC2-ethyl-6-(4-hexylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
SMILESCCCCCCC1CCC(c2ccc3c(c2)CCC(CC)C3)CC1
InChIInChI=1S/C24H38/c1-3-5-6-7-8-20-10-12-21(13-11-20)23-16-15-22-17-19(4-2)9-14-24(22)18-23/h15-16,18-21H,3-14,17H2,1-2H3
InChIKeyXKHDSAWLMTYHTG-UHFFFAOYSA-N
MW326.57 g/mol
LogP7.45
Rot. Bonds7

About 2-ethyl-6-(4-hexylcyclohexyl)-1,2,3,4-tetrahydronaphthalene

2-ethyl-6-(4-hexylcyclohexyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 20500147) has the molecular formula C24H38 and a molecular weight of 326.57 g/mol. Its IUPAC name is 2-ethyl-6-(4-hexylcyclohexyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2-ethyl-6-(4-hexylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
PubChem CID20500147
Molecular FormulaC24H38
Molecular Weight326.57 g/mol
Exact Mass326.30
IUPAC Name2-ethyl-6-(4-hexylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
SMILESCCCCCCC1CCC(c2ccc3c(c2)CCC(CC)C3)CC1
InChIInChI=1S/C24H38/c1-3-5-6-7-8-20-10-12-21(13-11-20)23-16-15-22-17-19(4-2)9-14-24(22)18-23/h15-16,18-21H,3-14,17H2,1-2H3
InChIKeyXKHDSAWLMTYHTG-UHFFFAOYSA-N
XLogP7.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.57
LogP ≤ 57.45
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

6-(4-butylcyclohexyl)-2-pentyl-1,2,3,4-tetrahydronaphthalene
CID 20500738
2-butyl-6-(4-butylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 20500349
2-butyl-6-(6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 139865614
1-(4-ethylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538252
6-(6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-pentyl-1,2,3,4-tetrahydronaphthalene
CID 139865826
2-hexyl-6-(6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 139865964
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404
6-ethoxy-2-[4-(4-pentylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139849675
6-[2-(4-pentylcyclohexyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 139877548
6-(6-butoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-ethyl-1,2,3,4-tetrahydronaphthalene
CID 139865642
[(1R,3S)-1-amino-3-[(6S)-6-hexyl-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
CID 90342997
[(1S,3S)-1-methyl-3-(6-pentyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol
CID 145021568

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(4-hexylcyclohexyl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2-ethyl-6-(4-hexylcyclohexyl)-1,2,3,4-tetrahydronaphthalene (CID 20500147) is 2-ethyl-6-(4-hexylcyclohexyl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2-ethyl-6-(4-hexylcyclohexyl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2-ethyl-6-(4-hexylcyclohexyl)-1,2,3,4-tetrahydronaphthalene is CCCCCCC1CCC(c2ccc3c(c2)CCC(CC)C3)CC1.
What is the InChIKey of 2-ethyl-6-(4-hexylcyclohexyl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is XKHDSAWLMTYHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38/c1-3-5-6-7-8-20-10-12-21(13-11-20)23-16-15-22-17-19(4-2)9-14-24(22)18-23/h15-16,18-21H,3-14,17H2,1-2H3.
What are the key properties of 2-ethyl-6-(4-hexylcyclohexyl)-1,2,3,4-tetrahydronaphthalene?
2-ethyl-6-(4-hexylcyclohexyl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 326.57 g/mol, XLogP of 7.45, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(4-hexylcyclohexyl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 20500147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).