2,3-dimethyl-9,10-di(nonoxy)anthracene

C34H50O2 — CID 175900449

IUPAC2,3-dimethyl-9,10-di(nonoxy)anthracene
SMILESCCCCCCCCCOc1c2ccccc2c(OCCCCCCCCC)c2cc(C)c(C)cc12
InChIInChI=1S/C34H50O2/c1-5-7-9-11-13-15-19-23-35-33-29-21-17-18-22-30(29)34(32-26-28(4)27(3)25-31(32)33)36-24-20-16-14-12-10-8-6-2/h17-18,21-22,25-26H,5-16,19-20,23-24H2,1-4H3
InChIKeyIGXYHAKAUCABKC-UHFFFAOYSA-N
MW490.77 g/mol
LogP10.87
Rot. Bonds18

About 2,3-dimethyl-9,10-di(nonoxy)anthracene

2,3-dimethyl-9,10-di(nonoxy)anthracene (PubChem CID 175900449) has the molecular formula C34H50O2 and a molecular weight of 490.77 g/mol. Its IUPAC name is 2,3-dimethyl-9,10-di(nonoxy)anthracene.

Molecular Properties

Compound Name2,3-dimethyl-9,10-di(nonoxy)anthracene
PubChem CID175900449
Molecular FormulaC34H50O2
Molecular Weight490.77 g/mol
Exact Mass490.38
IUPAC Name2,3-dimethyl-9,10-di(nonoxy)anthracene
SMILESCCCCCCCCCOc1c2ccccc2c(OCCCCCCCCC)c2cc(C)c(C)cc12
InChIInChI=1S/C34H50O2/c1-5-7-9-11-13-15-19-23-35-33-29-21-17-18-22-30(29)34(32-26-28(4)27(3)25-31(32)33)36-24-20-16-14-12-10-8-6-2/h17-18,21-22,25-26H,5-16,19-20,23-24H2,1-4H3
InChIKeyIGXYHAKAUCABKC-UHFFFAOYSA-N
XLogP10.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.77
LogP ≤ 510.87
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

9,10-dioctoxyanthracene
CID 21304201
9,10-dihexadecoxy-2-methylanthracene
CID 139930329
9,10-dibutoxyanthracene;9,10-dipentoxyanthracene
CID 159695719
2,3-dimethyl-1,4-di(nonoxy)naphthalene
CID 153323309
1,4-diheptoxy-2,3-dimethylnaphthalene
CID 153323338
2-ethyl-9,10-di(nonoxy)anthracene
CID 139930282
2-chloro-9,10-dioctoxyanthracene
CID 135239618
2-chloro-9,10-diheptoxyanthracene
CID 135239688
2-chloro-9,10-di(pentadecoxy)anthracene
CID 139930219
2-chloro-9,10-di(tetradecoxy)anthracene
CID 139930208
2-tert-butyl-9,10-di(heptadecoxy)anthracene
CID 139930060
2-tert-butyl-9,10-dioctadecoxyanthracene
CID 139930365

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-9,10-di(nonoxy)anthracene?
The IUPAC name of 2,3-dimethyl-9,10-di(nonoxy)anthracene (CID 175900449) is 2,3-dimethyl-9,10-di(nonoxy)anthracene.
What is the SMILES notation for 2,3-dimethyl-9,10-di(nonoxy)anthracene?
The canonical SMILES for 2,3-dimethyl-9,10-di(nonoxy)anthracene is CCCCCCCCCOc1c2ccccc2c(OCCCCCCCCC)c2cc(C)c(C)cc12.
What is the InChIKey of 2,3-dimethyl-9,10-di(nonoxy)anthracene?
The InChIKey is IGXYHAKAUCABKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H50O2/c1-5-7-9-11-13-15-19-23-35-33-29-21-17-18-22-30(29)34(32-26-28(4)27(3)25-31(32)33)36-24-20-16-14-12-10-8-6-2/h17-18,21-22,25-26H,5-16,19-20,23-24H2,1-4H3.
What are the key properties of 2,3-dimethyl-9,10-di(nonoxy)anthracene?
2,3-dimethyl-9,10-di(nonoxy)anthracene has a molecular weight of 490.77 g/mol, XLogP of 10.87, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-9,10-di(nonoxy)anthracene is sourced from PubChem (CID 175900449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).