6-(4-butylcyclohexyl)-2-pentyl-1,2,3,4-tetrahydronaphthalene

C25H40 — CID 20500738

IUPAC6-(4-butylcyclohexyl)-2-pentyl-1,2,3,4-tetrahydronaphthalene
SMILESCCCCCC1CCc2cc(C3CCC(CCCC)CC3)ccc2C1
InChIInChI=1S/C25H40/c1-3-5-7-9-21-12-15-25-19-24(17-16-23(25)18-21)22-13-10-20(11-14-22)8-6-4-2/h16-17,19-22H,3-15,18H2,1-2H3
InChIKeyNEIZVJWANRLRPV-UHFFFAOYSA-N
MW340.60 g/mol
LogP7.84
Rot. Bonds8

About 6-(4-butylcyclohexyl)-2-pentyl-1,2,3,4-tetrahydronaphthalene

6-(4-butylcyclohexyl)-2-pentyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 20500738) has the molecular formula C25H40 and a molecular weight of 340.60 g/mol. Its IUPAC name is 6-(4-butylcyclohexyl)-2-pentyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-(4-butylcyclohexyl)-2-pentyl-1,2,3,4-tetrahydronaphthalene
PubChem CID20500738
Molecular FormulaC25H40
Molecular Weight340.60 g/mol
Exact Mass340.31
IUPAC Name6-(4-butylcyclohexyl)-2-pentyl-1,2,3,4-tetrahydronaphthalene
SMILESCCCCCC1CCc2cc(C3CCC(CCCC)CC3)ccc2C1
InChIInChI=1S/C25H40/c1-3-5-7-9-21-12-15-25-19-24(17-16-23(25)18-21)22-13-10-20(11-14-22)8-6-4-2/h16-17,19-22H,3-15,18H2,1-2H3
InChIKeyNEIZVJWANRLRPV-UHFFFAOYSA-N
XLogP7.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.60
LogP ≤ 57.84
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-butyl-6-(4-butylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 20500349
2-ethyl-6-(4-hexylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 20500147
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
6-[2-(4-pentylcyclohexyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 139877548
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
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
[(1S,3S)-1-methyl-3-(6-pentyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol
CID 145021568
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404
6-butyl-2-[4-(4-butylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139849519
6-ethoxy-2-[4-(4-pentylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139849675
[(1R,3S)-1-amino-3-[(6S)-6-hexyl-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
CID 90342997
2-propyl-6-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 139864792

Frequently Asked Questions

What is the IUPAC name of 6-(4-butylcyclohexyl)-2-pentyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-(4-butylcyclohexyl)-2-pentyl-1,2,3,4-tetrahydronaphthalene (CID 20500738) is 6-(4-butylcyclohexyl)-2-pentyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-(4-butylcyclohexyl)-2-pentyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-(4-butylcyclohexyl)-2-pentyl-1,2,3,4-tetrahydronaphthalene is CCCCCC1CCc2cc(C3CCC(CCCC)CC3)ccc2C1.
What is the InChIKey of 6-(4-butylcyclohexyl)-2-pentyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is NEIZVJWANRLRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40/c1-3-5-7-9-21-12-15-25-19-24(17-16-23(25)18-21)22-13-10-20(11-14-22)8-6-4-2/h16-17,19-22H,3-15,18H2,1-2H3.
What are the key properties of 6-(4-butylcyclohexyl)-2-pentyl-1,2,3,4-tetrahydronaphthalene?
6-(4-butylcyclohexyl)-2-pentyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 340.60 g/mol, XLogP of 7.84, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-butylcyclohexyl)-2-pentyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 20500738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).