1,5-dihexoxynaphthalene-2,6-dicarbonitrile

C24H30N2O2 — CID 10667387

IUPAC1,5-dihexoxynaphthalene-2,6-dicarbonitrile
SMILESCCCCCCOc1c(C#N)ccc2c(OCCCCCC)c(C#N)ccc12
InChIInChI=1S/C24H30N2O2/c1-3-5-7-9-15-27-23-19(17-25)11-14-22-21(23)13-12-20(18-26)24(22)28-16-10-8-6-4-2/h11-14H,3-10,15-16H2,1-2H3
InChIKeyJPTFXCRSCWXZJO-UHFFFAOYSA-N
MW378.52 g/mol
LogP6.50
Rot. Bonds12

About 1,5-dihexoxynaphthalene-2,6-dicarbonitrile

1,5-dihexoxynaphthalene-2,6-dicarbonitrile (PubChem CID 10667387) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 1,5-dihexoxynaphthalene-2,6-dicarbonitrile.

Molecular Properties

Compound Name1,5-dihexoxynaphthalene-2,6-dicarbonitrile
PubChem CID10667387
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name1,5-dihexoxynaphthalene-2,6-dicarbonitrile
SMILESCCCCCCOc1c(C#N)ccc2c(OCCCCCC)c(C#N)ccc12
InChIInChI=1S/C24H30N2O2/c1-3-5-7-9-15-27-23-19(17-25)11-14-22-21(23)13-12-20(18-26)24(22)28-16-10-8-6-4-2/h11-14H,3-10,15-16H2,1-2H3
InChIKeyJPTFXCRSCWXZJO-UHFFFAOYSA-N
XLogP6.50
TPSA66.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9,10-dioctoxyanthracene
CID 21304201
2-chloro-4-decoxybenzonitrile
CID 102724082
1,4-dibutoxynaphthalene-2-carbonitrile
CID 102193876
2-bromo-4-hexoxybenzonitrile
CID 107276962
6-(4-dodecoxyphenyl)-1-methoxynaphthalene-2-carbonitrile
CID 151847211
1,5-diheptoxynaphthalene-2,6-dicarbaldehyde
CID 102384866
4-decoxybenzonitrile
CID 19021371
4-chloro-2-pentoxybenzonitrile
CID 63094612
2-hexoxypyridine-3-carbonitrile
CID 29001326
4-(4-dodecoxy-3-methylphenyl)-2-methylbenzonitrile
CID 102440643
2,6,9,10-tetra(nonoxy)anthracene
CID 139930263
9,10-diheptoxy-2,6-dimethylanthracene
CID 123170872

Frequently Asked Questions

What is the IUPAC name of 1,5-dihexoxynaphthalene-2,6-dicarbonitrile?
The IUPAC name of 1,5-dihexoxynaphthalene-2,6-dicarbonitrile (CID 10667387) is 1,5-dihexoxynaphthalene-2,6-dicarbonitrile.
What is the SMILES notation for 1,5-dihexoxynaphthalene-2,6-dicarbonitrile?
The canonical SMILES for 1,5-dihexoxynaphthalene-2,6-dicarbonitrile is CCCCCCOc1c(C#N)ccc2c(OCCCCCC)c(C#N)ccc12.
What is the InChIKey of 1,5-dihexoxynaphthalene-2,6-dicarbonitrile?
The InChIKey is JPTFXCRSCWXZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-3-5-7-9-15-27-23-19(17-25)11-14-22-21(23)13-12-20(18-26)24(22)28-16-10-8-6-4-2/h11-14H,3-10,15-16H2,1-2H3.
What are the key properties of 1,5-dihexoxynaphthalene-2,6-dicarbonitrile?
1,5-dihexoxynaphthalene-2,6-dicarbonitrile has a molecular weight of 378.52 g/mol, XLogP of 6.50, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dihexoxynaphthalene-2,6-dicarbonitrile is sourced from PubChem (CID 10667387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).