2-octyl-6-(4-pentylcyclohexen-1-yl)naphthalene

C29H42 — CID 20500432

IUPAC2-octyl-6-(4-pentylcyclohexen-1-yl)naphthalene
SMILESCCCCCCCCc1ccc2cc(C3=CCC(CCCCC)CC3)ccc2c1
InChIInChI=1S/C29H42/c1-3-5-7-8-9-11-13-25-16-19-29-23-28(21-20-27(29)22-25)26-17-14-24(15-18-26)12-10-6-4-2/h16-17,19-24H,3-15,18H2,1-2H3
InChIKeyCEFLGYMQBQOVPR-UHFFFAOYSA-N
MW390.66 g/mol
LogP9.51
Rot. Bonds12

About 2-octyl-6-(4-pentylcyclohexen-1-yl)naphthalene

2-octyl-6-(4-pentylcyclohexen-1-yl)naphthalene (PubChem CID 20500432) has the molecular formula C29H42 and a molecular weight of 390.66 g/mol. Its IUPAC name is 2-octyl-6-(4-pentylcyclohexen-1-yl)naphthalene.

Molecular Properties

Compound Name2-octyl-6-(4-pentylcyclohexen-1-yl)naphthalene
PubChem CID20500432
Molecular FormulaC29H42
Molecular Weight390.66 g/mol
Exact Mass390.33
IUPAC Name2-octyl-6-(4-pentylcyclohexen-1-yl)naphthalene
SMILESCCCCCCCCc1ccc2cc(C3=CCC(CCCCC)CC3)ccc2c1
InChIInChI=1S/C29H42/c1-3-5-7-8-9-11-13-25-16-19-29-23-28(21-20-27(29)22-25)26-17-14-24(15-18-26)12-10-6-4-2/h16-17,19-24H,3-15,18H2,1-2H3
InChIKeyCEFLGYMQBQOVPR-UHFFFAOYSA-N
XLogP9.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.66
LogP ≤ 59.51
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-hexyl-6-(4-propylcyclohexen-1-yl)naphthalene
CID 20500630
2-ethyl-6-(4-heptylcyclohexen-1-yl)naphthalene
CID 20500322
2-(4-butylcyclohexen-1-yl)-6-propylnaphthalene
CID 20500411
1-(4-butylcyclohexen-1-yl)-4-hexylbenzene
CID 54268995
2-(4-methylcyclohexen-1-yl)-6-pentylnaphthalene
CID 20500624
1-(4-hexylcyclohexen-1-yl)-4-propylbenzene
CID 54541289
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-ethylcyclohexen-1-yl)-4-heptylbenzene
CID 54014860
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

Frequently Asked Questions

What is the IUPAC name of 2-octyl-6-(4-pentylcyclohexen-1-yl)naphthalene?
The IUPAC name of 2-octyl-6-(4-pentylcyclohexen-1-yl)naphthalene (CID 20500432) is 2-octyl-6-(4-pentylcyclohexen-1-yl)naphthalene.
What is the SMILES notation for 2-octyl-6-(4-pentylcyclohexen-1-yl)naphthalene?
The canonical SMILES for 2-octyl-6-(4-pentylcyclohexen-1-yl)naphthalene is CCCCCCCCc1ccc2cc(C3=CCC(CCCCC)CC3)ccc2c1.
What is the InChIKey of 2-octyl-6-(4-pentylcyclohexen-1-yl)naphthalene?
The InChIKey is CEFLGYMQBQOVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H42/c1-3-5-7-8-9-11-13-25-16-19-29-23-28(21-20-27(29)22-25)26-17-14-24(15-18-26)12-10-6-4-2/h16-17,19-24H,3-15,18H2,1-2H3.
What are the key properties of 2-octyl-6-(4-pentylcyclohexen-1-yl)naphthalene?
2-octyl-6-(4-pentylcyclohexen-1-yl)naphthalene has a molecular weight of 390.66 g/mol, XLogP of 9.51, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octyl-6-(4-pentylcyclohexen-1-yl)naphthalene is sourced from PubChem (CID 20500432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).