ethyl 19-anthracen-1-yloxynonadecanoate

C35H50O3 — CID 175607147

IUPACethyl 19-anthracen-1-yloxynonadecanoate
SMILESCCOC(=O)CCCCCCCCCCCCCCCCCCOc1cccc2cc3ccccc3cc12
InChIInChI=1S/C35H50O3/c1-2-37-35(36)26-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-20-27-38-34-25-21-24-32-28-30-22-18-19-23-31(30)29-33(32)34/h18-19,21-25,28-29H,2-17,20,26-27H2,1H3
InChIKeyGHGAOXVLUTWTMB-UHFFFAOYSA-N
MW518.78 g/mol
LogP10.57
Rot. Bonds21

About ethyl 19-anthracen-1-yloxynonadecanoate

ethyl 19-anthracen-1-yloxynonadecanoate (PubChem CID 175607147) has the molecular formula C35H50O3 and a molecular weight of 518.78 g/mol. Its IUPAC name is ethyl 19-anthracen-1-yloxynonadecanoate.

Molecular Properties

Compound Nameethyl 19-anthracen-1-yloxynonadecanoate
PubChem CID175607147
Molecular FormulaC35H50O3
Molecular Weight518.78 g/mol
Exact Mass518.38
IUPAC Nameethyl 19-anthracen-1-yloxynonadecanoate
SMILESCCOC(=O)CCCCCCCCCCCCCCCCCCOc1cccc2cc3ccccc3cc12
InChIInChI=1S/C35H50O3/c1-2-37-35(36)26-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-20-27-38-34-25-21-24-32-28-30-22-18-19-23-31(30)29-33(32)34/h18-19,21-25,28-29H,2-17,20,26-27H2,1H3
InChIKeyGHGAOXVLUTWTMB-UHFFFAOYSA-N
XLogP10.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.78
LogP ≤ 510.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

ethyl 15-anthracen-1-yloxypentadecanoate
CID 175607190
tert-butyl 14-anthracen-1-yloxytetradecanoate
CID 175607187
propan-2-yl 18-anthracen-1-yloxyoctadecanoate
CID 175141945
tert-butyl 17-anthracen-1-yloxyheptadecanoate
CID 175358206
tert-butyl 11-anthracen-1-yloxyundecanoate
CID 175146311
1-nonoxyanthracene
CID 86193569
ethyl 2-(6-naphthalen-1-yloxyhexanoylamino)acetate
CID 122182969
2-naphthalen-1-yloxyethyl octadecanoate
CID 154105287
ethyl 6-(1-formylnaphthalen-2-yl)oxyhexanoate
CID 86662491
ethyl 9-(3-bromo-2-methylphenoxy)nonanoate
CID 170321461
ethyl 6-(2-prop-1-enylphenoxy)hexanoate
CID 77024450
ethyl 6-[1-(hydroxyiminomethyl)naphthalen-2-yl]oxyhexanoate
CID 86662492

Frequently Asked Questions

What is the IUPAC name of ethyl 19-anthracen-1-yloxynonadecanoate?
The IUPAC name of ethyl 19-anthracen-1-yloxynonadecanoate (CID 175607147) is ethyl 19-anthracen-1-yloxynonadecanoate.
What is the SMILES notation for ethyl 19-anthracen-1-yloxynonadecanoate?
The canonical SMILES for ethyl 19-anthracen-1-yloxynonadecanoate is CCOC(=O)CCCCCCCCCCCCCCCCCCOc1cccc2cc3ccccc3cc12.
What is the InChIKey of ethyl 19-anthracen-1-yloxynonadecanoate?
The InChIKey is GHGAOXVLUTWTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H50O3/c1-2-37-35(36)26-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-20-27-38-34-25-21-24-32-28-30-22-18-19-23-31(30)29-33(32)34/h18-19,21-25,28-29H,2-17,20,26-27H2,1H3.
What are the key properties of ethyl 19-anthracen-1-yloxynonadecanoate?
ethyl 19-anthracen-1-yloxynonadecanoate has a molecular weight of 518.78 g/mol, XLogP of 10.57, 21 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 19-anthracen-1-yloxynonadecanoate is sourced from PubChem (CID 175607147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).