2-ethyl-6-(4-heptylcyclohexen-1-yl)naphthalene

C25H34 — CID 20500322

IUPAC2-ethyl-6-(4-heptylcyclohexen-1-yl)naphthalene
SMILESCCCCCCCC1CC=C(c2ccc3cc(CC)ccc3c2)CC1
InChIInChI=1S/C25H34/c1-3-5-6-7-8-9-21-11-13-22(14-12-21)24-17-16-23-18-20(4-2)10-15-25(23)19-24/h10,13,15-19,21H,3-9,11-12,14H2,1-2H3
InChIKeyHSCOIZHIMCVPTM-UHFFFAOYSA-N
MW334.55 g/mol
LogP7.95
Rot. Bonds8

About 2-ethyl-6-(4-heptylcyclohexen-1-yl)naphthalene

2-ethyl-6-(4-heptylcyclohexen-1-yl)naphthalene (PubChem CID 20500322) has the molecular formula C25H34 and a molecular weight of 334.55 g/mol. Its IUPAC name is 2-ethyl-6-(4-heptylcyclohexen-1-yl)naphthalene.

Molecular Properties

Compound Name2-ethyl-6-(4-heptylcyclohexen-1-yl)naphthalene
PubChem CID20500322
Molecular FormulaC25H34
Molecular Weight334.55 g/mol
Exact Mass334.27
IUPAC Name2-ethyl-6-(4-heptylcyclohexen-1-yl)naphthalene
SMILESCCCCCCCC1CC=C(c2ccc3cc(CC)ccc3c2)CC1
InChIInChI=1S/C25H34/c1-3-5-6-7-8-9-21-11-13-22(14-12-21)24-17-16-23-18-20(4-2)10-15-25(23)19-24/h10,13,15-19,21H,3-9,11-12,14H2,1-2H3
InChIKeyHSCOIZHIMCVPTM-UHFFFAOYSA-N
XLogP7.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.55
LogP ≤ 57.95
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-octyl-6-(4-pentylcyclohexen-1-yl)naphthalene
CID 20500432
2-hexyl-6-(4-propylcyclohexen-1-yl)naphthalene
CID 20500630
2-(4-butylcyclohexen-1-yl)-6-propylnaphthalene
CID 20500411
2-(4-heptylcyclohexen-1-yl)-6-methoxynaphthalene
CID 20500113
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-hexylcyclohexen-1-yl)-4-propylbenzene
CID 54541289
1-(4-hexylcyclohexen-1-yl)-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene
CID 20538280
[6-(4-heptylcyclohexen-1-yl)naphthalen-2-yl] acetate
CID 20500645
1-(4-butylcyclohexen-1-yl)-4-hexylbenzene
CID 54268995
[6-(4-octylcyclohexen-1-yl)naphthalen-2-yl] pentanoate
CID 20500547
4-(4-heptylcyclohexen-1-yl)benzenethiol
CID 173376322

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(4-heptylcyclohexen-1-yl)naphthalene?
The IUPAC name of 2-ethyl-6-(4-heptylcyclohexen-1-yl)naphthalene (CID 20500322) is 2-ethyl-6-(4-heptylcyclohexen-1-yl)naphthalene.
What is the SMILES notation for 2-ethyl-6-(4-heptylcyclohexen-1-yl)naphthalene?
The canonical SMILES for 2-ethyl-6-(4-heptylcyclohexen-1-yl)naphthalene is CCCCCCCC1CC=C(c2ccc3cc(CC)ccc3c2)CC1.
What is the InChIKey of 2-ethyl-6-(4-heptylcyclohexen-1-yl)naphthalene?
The InChIKey is HSCOIZHIMCVPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34/c1-3-5-6-7-8-9-21-11-13-22(14-12-21)24-17-16-23-18-20(4-2)10-15-25(23)19-24/h10,13,15-19,21H,3-9,11-12,14H2,1-2H3.
What are the key properties of 2-ethyl-6-(4-heptylcyclohexen-1-yl)naphthalene?
2-ethyl-6-(4-heptylcyclohexen-1-yl)naphthalene has a molecular weight of 334.55 g/mol, XLogP of 7.95, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(4-heptylcyclohexen-1-yl)naphthalene is sourced from PubChem (CID 20500322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).