9,10-bis(2-methoxyethoxy)-2-octadecylanthracene

C38H58O4 — CID 139845343

IUPAC9,10-bis(2-methoxyethoxy)-2-octadecylanthracene
SMILESCCCCCCCCCCCCCCCCCCc1ccc2c(OCCOC)c3ccccc3c(OCCOC)c2c1
InChIInChI=1S/C38H58O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-32-25-26-35-36(31-32)38(42-30-28-40-3)34-24-21-20-23-33(34)37(35)41-29-27-39-2/h20-21,23-26,31H,4-19,22,27-30H2,1-3H3
InChIKeyHZHLQGYCBINKNF-UHFFFAOYSA-N
MW578.88 g/mol
LogP10.85
Rot. Bonds25

About 9,10-bis(2-methoxyethoxy)-2-octadecylanthracene

9,10-bis(2-methoxyethoxy)-2-octadecylanthracene (PubChem CID 139845343) has the molecular formula C38H58O4 and a molecular weight of 578.88 g/mol. Its IUPAC name is 9,10-bis(2-methoxyethoxy)-2-octadecylanthracene.

Molecular Properties

Compound Name9,10-bis(2-methoxyethoxy)-2-octadecylanthracene
PubChem CID139845343
Molecular FormulaC38H58O4
Molecular Weight578.88 g/mol
Exact Mass578.43
IUPAC Name9,10-bis(2-methoxyethoxy)-2-octadecylanthracene
SMILESCCCCCCCCCCCCCCCCCCc1ccc2c(OCCOC)c3ccccc3c(OCCOC)c2c1
InChIInChI=1S/C38H58O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-32-25-26-35-36(31-32)38(42-30-28-40-3)34-24-21-20-23-33(34)37(35)41-29-27-39-2/h20-21,23-26,31H,4-19,22,27-30H2,1-3H3
InChIKeyHZHLQGYCBINKNF-UHFFFAOYSA-N
XLogP10.85
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds25
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.88
LogP ≤ 510.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-ethyl-9,10-di(nonoxy)anthracene
CID 139930282
2-pentyl-9,10-bis(propoxymethoxy)anthracene
CID 152708023
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-dihexadecoxy-2-methylanthracene
CID 139930329
18,33-di(nonyl)dodecacyclo[24.16.0.02,7.03,40.06,11.08,25.09,22.010,15.016,21.029,42.030,35.036,41]dotetraconta-1(26),2,4,6,8(25),9(22),10,12,14,16(21),17,19,23,27,29(42),30(35),31,33,36,38,40-henicosaene
CID 177490465
2,3-dimethyl-9,10-di(nonoxy)anthracene
CID 175900449
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

Frequently Asked Questions

What is the IUPAC name of 9,10-bis(2-methoxyethoxy)-2-octadecylanthracene?
The IUPAC name of 9,10-bis(2-methoxyethoxy)-2-octadecylanthracene (CID 139845343) is 9,10-bis(2-methoxyethoxy)-2-octadecylanthracene.
What is the SMILES notation for 9,10-bis(2-methoxyethoxy)-2-octadecylanthracene?
The canonical SMILES for 9,10-bis(2-methoxyethoxy)-2-octadecylanthracene is CCCCCCCCCCCCCCCCCCc1ccc2c(OCCOC)c3ccccc3c(OCCOC)c2c1.
What is the InChIKey of 9,10-bis(2-methoxyethoxy)-2-octadecylanthracene?
The InChIKey is HZHLQGYCBINKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H58O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-32-25-26-35-36(31-32)38(42-30-28-40-3)34-24-21-20-23-33(34)37(35)41-29-27-39-2/h20-21,23-26,31H,4-19,22,27-30H2,1-3H3.
What are the key properties of 9,10-bis(2-methoxyethoxy)-2-octadecylanthracene?
9,10-bis(2-methoxyethoxy)-2-octadecylanthracene has a molecular weight of 578.88 g/mol, XLogP of 10.85, 25 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-bis(2-methoxyethoxy)-2-octadecylanthracene is sourced from PubChem (CID 139845343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).