1-(cyclononylmethyl)anthracene

C24H28 — CID 173272600

IUPAC1-(cyclononylmethyl)anthracene
SMILESc1ccc2cc3c(CC4CCCCCCCC4)cccc3cc2c1
InChIInChI=1S/C24H28/c1-2-4-6-11-19(10-5-3-1)16-22-14-9-15-23-17-20-12-7-8-13-21(20)18-24(22)23/h7-9,12-15,17-19H,1-6,10-11,16H2
InChIKeyGNZAATGUVFKSKS-UHFFFAOYSA-N
MW316.49 g/mol
LogP7.29
Rot. Bonds2

About 1-(cyclononylmethyl)anthracene

1-(cyclononylmethyl)anthracene (PubChem CID 173272600) has the molecular formula C24H28 and a molecular weight of 316.49 g/mol. Its IUPAC name is 1-(cyclononylmethyl)anthracene.

Molecular Properties

Compound Name1-(cyclononylmethyl)anthracene
PubChem CID173272600
Molecular FormulaC24H28
Molecular Weight316.49 g/mol
Exact Mass316.22
IUPAC Name1-(cyclononylmethyl)anthracene
SMILESc1ccc2cc3c(CC4CCCCCCCC4)cccc3cc2c1
InChIInChI=1S/C24H28/c1-2-4-6-11-19(10-5-3-1)16-22-14-9-15-23-17-20-12-7-8-13-21(20)18-24(22)23/h7-9,12-15,17-19H,1-6,10-11,16H2
InChIKeyGNZAATGUVFKSKS-UHFFFAOYSA-N
XLogP7.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.49
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclononylmethyl)anthracene?
The IUPAC name of 1-(cyclononylmethyl)anthracene (CID 173272600) is 1-(cyclononylmethyl)anthracene.
What is the SMILES notation for 1-(cyclononylmethyl)anthracene?
The canonical SMILES for 1-(cyclononylmethyl)anthracene is c1ccc2cc3c(CC4CCCCCCCC4)cccc3cc2c1.
What is the InChIKey of 1-(cyclononylmethyl)anthracene?
The InChIKey is GNZAATGUVFKSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28/c1-2-4-6-11-19(10-5-3-1)16-22-14-9-15-23-17-20-12-7-8-13-21(20)18-24(22)23/h7-9,12-15,17-19H,1-6,10-11,16H2.
What are the key properties of 1-(cyclononylmethyl)anthracene?
1-(cyclononylmethyl)anthracene has a molecular weight of 316.49 g/mol, XLogP of 7.29, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclononylmethyl)anthracene is sourced from PubChem (CID 173272600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).