tert-butyl 14-anthracen-1-yloxytetradecanoate

C32H44O3 — CID 175607187

IUPACtert-butyl 14-anthracen-1-yloxytetradecanoate
SMILESCC(C)(C)OC(=O)CCCCCCCCCCCCCOc1cccc2cc3ccccc3cc12
InChIInChI=1S/C32H44O3/c1-32(2,3)35-31(33)22-13-11-9-7-5-4-6-8-10-12-16-23-34-30-21-17-20-28-24-26-18-14-15-19-27(26)25-29(28)30/h14-15,17-21,24-25H,4-13,16,22-23H2,1-3H3
InChIKeyPCTCNZNGMGYNMU-UHFFFAOYSA-N
MW476.70 g/mol
LogP9.39
Rot. Bonds15

About tert-butyl 14-anthracen-1-yloxytetradecanoate

tert-butyl 14-anthracen-1-yloxytetradecanoate (PubChem CID 175607187) has the molecular formula C32H44O3 and a molecular weight of 476.70 g/mol. Its IUPAC name is tert-butyl 14-anthracen-1-yloxytetradecanoate.

Molecular Properties

Compound Nametert-butyl 14-anthracen-1-yloxytetradecanoate
PubChem CID175607187
Molecular FormulaC32H44O3
Molecular Weight476.70 g/mol
Exact Mass476.33
IUPAC Nametert-butyl 14-anthracen-1-yloxytetradecanoate
SMILESCC(C)(C)OC(=O)CCCCCCCCCCCCCOc1cccc2cc3ccccc3cc12
InChIInChI=1S/C32H44O3/c1-32(2,3)35-31(33)22-13-11-9-7-5-4-6-8-10-12-16-23-34-30-21-17-20-28-24-26-18-14-15-19-27(26)25-29(28)30/h14-15,17-21,24-25H,4-13,16,22-23H2,1-3H3
InChIKeyPCTCNZNGMGYNMU-UHFFFAOYSA-N
XLogP9.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.70
LogP ≤ 59.39
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

tert-butyl 17-anthracen-1-yloxyheptadecanoate
CID 175358206
tert-butyl 11-anthracen-1-yloxyundecanoate
CID 175146311
ethyl 19-anthracen-1-yloxynonadecanoate
CID 175607147
ethyl 15-anthracen-1-yloxypentadecanoate
CID 175607190
propan-2-yl 18-anthracen-1-yloxyoctadecanoate
CID 175141945
1-nonoxyanthracene
CID 86193569
8-[6-[(2-methylpropan-2-yl)oxy]-6-oxohexoxy]quinoline-2-carboxylic acid
CID 66815646
tert-butyl 6-(4-phenylphenoxy)hexanoate
CID 11724831
tert-butyl 8-(3-propan-2-ylphenoxy)octanoate
CID 134574821
tert-butyl 7-[3,5-bis(hydroxymethyl)phenoxy]heptanoate
CID 168730127
5-naphthalen-1-yloxypentanoic acid;5-naphthalen-2-yloxypentanoic acid
CID 138543521
tert-butyl 2-(anthracen-1-ylmethylsulfanyl)acetate
CID 88949513

Frequently Asked Questions

What is the IUPAC name of tert-butyl 14-anthracen-1-yloxytetradecanoate?
The IUPAC name of tert-butyl 14-anthracen-1-yloxytetradecanoate (CID 175607187) is tert-butyl 14-anthracen-1-yloxytetradecanoate.
What is the SMILES notation for tert-butyl 14-anthracen-1-yloxytetradecanoate?
The canonical SMILES for tert-butyl 14-anthracen-1-yloxytetradecanoate is CC(C)(C)OC(=O)CCCCCCCCCCCCCOc1cccc2cc3ccccc3cc12.
What is the InChIKey of tert-butyl 14-anthracen-1-yloxytetradecanoate?
The InChIKey is PCTCNZNGMGYNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H44O3/c1-32(2,3)35-31(33)22-13-11-9-7-5-4-6-8-10-12-16-23-34-30-21-17-20-28-24-26-18-14-15-19-27(26)25-29(28)30/h14-15,17-21,24-25H,4-13,16,22-23H2,1-3H3.
What are the key properties of tert-butyl 14-anthracen-1-yloxytetradecanoate?
tert-butyl 14-anthracen-1-yloxytetradecanoate has a molecular weight of 476.70 g/mol, XLogP of 9.39, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 14-anthracen-1-yloxytetradecanoate is sourced from PubChem (CID 175607187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).