2-ethyl-9,10-di(nonoxy)anthracene

C34H50O2 — CID 139930282

IUPAC2-ethyl-9,10-di(nonoxy)anthracene
SMILESCCCCCCCCCOc1c2ccccc2c(OCCCCCCCCC)c2cc(CC)ccc12
InChIInChI=1S/C34H50O2/c1-4-7-9-11-13-15-19-25-35-33-29-21-17-18-22-30(29)34(32-27-28(6-3)23-24-31(32)33)36-26-20-16-14-12-10-8-5-2/h17-18,21-24,27H,4-16,19-20,25-26H2,1-3H3
InChIKeyGLNLKQXVOSBQMN-UHFFFAOYSA-N
MW490.77 g/mol
LogP10.81
Rot. Bonds19

About 2-ethyl-9,10-di(nonoxy)anthracene

2-ethyl-9,10-di(nonoxy)anthracene (PubChem CID 139930282) has the molecular formula C34H50O2 and a molecular weight of 490.77 g/mol. Its IUPAC name is 2-ethyl-9,10-di(nonoxy)anthracene.

Molecular Properties

Compound Name2-ethyl-9,10-di(nonoxy)anthracene
PubChem CID139930282
Molecular FormulaC34H50O2
Molecular Weight490.77 g/mol
Exact Mass490.38
IUPAC Name2-ethyl-9,10-di(nonoxy)anthracene
SMILESCCCCCCCCCOc1c2ccccc2c(OCCCCCCCCC)c2cc(CC)ccc12
InChIInChI=1S/C34H50O2/c1-4-7-9-11-13-15-19-25-35-33-29-21-17-18-22-30(29)34(32-27-28(6-3)23-24-31(32)33)36-26-20-16-14-12-10-8-5-2/h17-18,21-24,27H,4-16,19-20,25-26H2,1-3H3
InChIKeyGLNLKQXVOSBQMN-UHFFFAOYSA-N
XLogP10.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.77
LogP ≤ 510.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-9,10-di(heptadecoxy)anthracene
CID 139929989
2-(chloromethyl)-9,10-di(undecoxy)anthracene
CID 139929951
9,10-dioctoxyanthracene
CID 21304201
9,10-bis(decylsulfanylmethoxy)-2-ethylanthracene
CID 139902062
9,10-dihexadecoxy-2-methylanthracene
CID 139930329
2,3-dimethyl-9,10-di(nonoxy)anthracene
CID 175900449
9,10-bis(2-methoxyethoxy)-2-octadecylanthracene
CID 139845343
2-chloro-9,10-di(tetradecoxy)anthracene
CID 139930208
2-chloro-9,10-dioctoxyanthracene
CID 135239618
2-chloro-9,10-diheptoxyanthracene
CID 135239688
2-chloro-9,10-di(pentadecoxy)anthracene
CID 139930219
9,10-dibutoxyanthracene;9,10-dipentoxyanthracene
CID 159695719

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-9,10-di(nonoxy)anthracene?
The IUPAC name of 2-ethyl-9,10-di(nonoxy)anthracene (CID 139930282) is 2-ethyl-9,10-di(nonoxy)anthracene.
What is the SMILES notation for 2-ethyl-9,10-di(nonoxy)anthracene?
The canonical SMILES for 2-ethyl-9,10-di(nonoxy)anthracene is CCCCCCCCCOc1c2ccccc2c(OCCCCCCCCC)c2cc(CC)ccc12.
What is the InChIKey of 2-ethyl-9,10-di(nonoxy)anthracene?
The InChIKey is GLNLKQXVOSBQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H50O2/c1-4-7-9-11-13-15-19-25-35-33-29-21-17-18-22-30(29)34(32-27-28(6-3)23-24-31(32)33)36-26-20-16-14-12-10-8-5-2/h17-18,21-24,27H,4-16,19-20,25-26H2,1-3H3.
What are the key properties of 2-ethyl-9,10-di(nonoxy)anthracene?
2-ethyl-9,10-di(nonoxy)anthracene has a molecular weight of 490.77 g/mol, XLogP of 10.81, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-9,10-di(nonoxy)anthracene is sourced from PubChem (CID 139930282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).