ethyl 15-anthracen-1-yloxypentadecanoate

C31H42O3 — CID 175607190

IUPACethyl 15-anthracen-1-yloxypentadecanoate
SMILESCCOC(=O)CCCCCCCCCCCCCCOc1cccc2cc3ccccc3cc12
InChIInChI=1S/C31H42O3/c1-2-33-31(32)22-13-11-9-7-5-3-4-6-8-10-12-16-23-34-30-21-17-20-28-24-26-18-14-15-19-27(26)25-29(28)30/h14-15,17-21,24-25H,2-13,16,22-23H2,1H3
InChIKeySTWVFOZCDKDYJQ-UHFFFAOYSA-N
MW462.67 g/mol
LogP9.01
Rot. Bonds17

About ethyl 15-anthracen-1-yloxypentadecanoate

ethyl 15-anthracen-1-yloxypentadecanoate (PubChem CID 175607190) has the molecular formula C31H42O3 and a molecular weight of 462.67 g/mol. Its IUPAC name is ethyl 15-anthracen-1-yloxypentadecanoate.

Molecular Properties

Compound Nameethyl 15-anthracen-1-yloxypentadecanoate
PubChem CID175607190
Molecular FormulaC31H42O3
Molecular Weight462.67 g/mol
Exact Mass462.31
IUPAC Nameethyl 15-anthracen-1-yloxypentadecanoate
SMILESCCOC(=O)CCCCCCCCCCCCCCOc1cccc2cc3ccccc3cc12
InChIInChI=1S/C31H42O3/c1-2-33-31(32)22-13-11-9-7-5-3-4-6-8-10-12-16-23-34-30-21-17-20-28-24-26-18-14-15-19-27(26)25-29(28)30/h14-15,17-21,24-25H,2-13,16,22-23H2,1H3
InChIKeySTWVFOZCDKDYJQ-UHFFFAOYSA-N
XLogP9.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.67
LogP ≤ 59.01
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 19-anthracen-1-yloxynonadecanoate
CID 175607147
propan-2-yl 18-anthracen-1-yloxyoctadecanoate
CID 175141945
tert-butyl 14-anthracen-1-yloxytetradecanoate
CID 175607187
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 15-anthracen-1-yloxypentadecanoate?
The IUPAC name of ethyl 15-anthracen-1-yloxypentadecanoate (CID 175607190) is ethyl 15-anthracen-1-yloxypentadecanoate.
What is the SMILES notation for ethyl 15-anthracen-1-yloxypentadecanoate?
The canonical SMILES for ethyl 15-anthracen-1-yloxypentadecanoate is CCOC(=O)CCCCCCCCCCCCCCOc1cccc2cc3ccccc3cc12.
What is the InChIKey of ethyl 15-anthracen-1-yloxypentadecanoate?
The InChIKey is STWVFOZCDKDYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H42O3/c1-2-33-31(32)22-13-11-9-7-5-3-4-6-8-10-12-16-23-34-30-21-17-20-28-24-26-18-14-15-19-27(26)25-29(28)30/h14-15,17-21,24-25H,2-13,16,22-23H2,1H3.
What are the key properties of ethyl 15-anthracen-1-yloxypentadecanoate?
ethyl 15-anthracen-1-yloxypentadecanoate has a molecular weight of 462.67 g/mol, XLogP of 9.01, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 15-anthracen-1-yloxypentadecanoate is sourced from PubChem (CID 175607190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).