2-(4-heptylcyclohexen-1-yl)-6-methoxynaphthalene

C24H32O — CID 20500113

IUPAC2-(4-heptylcyclohexen-1-yl)-6-methoxynaphthalene
SMILESCCCCCCCC1CC=C(c2ccc3cc(OC)ccc3c2)CC1
InChIInChI=1S/C24H32O/c1-3-4-5-6-7-8-19-9-11-20(12-10-19)21-13-14-23-18-24(25-2)16-15-22(23)17-21/h11,13-19H,3-10,12H2,1-2H3
InChIKeyFKESZXMAAAHLHI-UHFFFAOYSA-N
MW336.52 g/mol
LogP7.39
Rot. Bonds8

About 2-(4-heptylcyclohexen-1-yl)-6-methoxynaphthalene

2-(4-heptylcyclohexen-1-yl)-6-methoxynaphthalene (PubChem CID 20500113) has the molecular formula C24H32O and a molecular weight of 336.52 g/mol. Its IUPAC name is 2-(4-heptylcyclohexen-1-yl)-6-methoxynaphthalene.

Molecular Properties

Compound Name2-(4-heptylcyclohexen-1-yl)-6-methoxynaphthalene
PubChem CID20500113
Molecular FormulaC24H32O
Molecular Weight336.52 g/mol
Exact Mass336.25
IUPAC Name2-(4-heptylcyclohexen-1-yl)-6-methoxynaphthalene
SMILESCCCCCCCC1CC=C(c2ccc3cc(OC)ccc3c2)CC1
InChIInChI=1S/C24H32O/c1-3-4-5-6-7-8-19-9-11-20(12-10-19)21-13-14-23-18-24(25-2)16-15-22(23)17-21/h11,13-19H,3-10,12H2,1-2H3
InChIKeyFKESZXMAAAHLHI-UHFFFAOYSA-N
XLogP7.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.52
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[6-(4-heptylcyclohexen-1-yl)naphthalen-2-yl] acetate
CID 20500645
2-ethyl-6-(4-heptylcyclohexen-1-yl)naphthalene
CID 20500322
[6-(4-octylcyclohexen-1-yl)naphthalen-2-yl] pentanoate
CID 20500547
2-octyl-6-(4-pentylcyclohexen-1-yl)naphthalene
CID 20500432
1-(4-heptylcyclohexen-1-yl)-4-(4-hexylcyclohexen-1-yl)benzene
CID 20538103
1-(4-decylcyclohexen-1-yl)-4-(4-hexylcyclohexen-1-yl)benzene
CID 20538384
1-(4-heptylcyclohexen-1-yl)-4-octoxybenzene
CID 57078730
1-(4-hexylcyclohexen-1-yl)-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene
CID 20538280
2-hexyl-6-(4-propylcyclohexen-1-yl)naphthalene
CID 20500630
2-(4-butylcyclohexen-1-yl)-6-propylnaphthalene
CID 20500411
4-(4-heptylcyclohexen-1-yl)benzenethiol
CID 173376322
1-(4-hexylcyclohexen-1-yl)-4-propylbenzene
CID 54541289

Frequently Asked Questions

What is the IUPAC name of 2-(4-heptylcyclohexen-1-yl)-6-methoxynaphthalene?
The IUPAC name of 2-(4-heptylcyclohexen-1-yl)-6-methoxynaphthalene (CID 20500113) is 2-(4-heptylcyclohexen-1-yl)-6-methoxynaphthalene.
What is the SMILES notation for 2-(4-heptylcyclohexen-1-yl)-6-methoxynaphthalene?
The canonical SMILES for 2-(4-heptylcyclohexen-1-yl)-6-methoxynaphthalene is CCCCCCCC1CC=C(c2ccc3cc(OC)ccc3c2)CC1.
What is the InChIKey of 2-(4-heptylcyclohexen-1-yl)-6-methoxynaphthalene?
The InChIKey is FKESZXMAAAHLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O/c1-3-4-5-6-7-8-19-9-11-20(12-10-19)21-13-14-23-18-24(25-2)16-15-22(23)17-21/h11,13-19H,3-10,12H2,1-2H3.
What are the key properties of 2-(4-heptylcyclohexen-1-yl)-6-methoxynaphthalene?
2-(4-heptylcyclohexen-1-yl)-6-methoxynaphthalene has a molecular weight of 336.52 g/mol, XLogP of 7.39, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-heptylcyclohexen-1-yl)-6-methoxynaphthalene is sourced from PubChem (CID 20500113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).