2-naphthalen-1-yloxyethyl octadecanoate

C30H46O3 — CID 154105287

IUPAC2-naphthalen-1-yloxyethyl octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)OCCOc1cccc2ccccc12
InChIInChI=1S/C30H46O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-30(31)33-26-25-32-29-23-19-21-27-20-17-18-22-28(27)29/h17-23H,2-16,24-26H2,1H3
InChIKeyRRCRNJNZZNLCRN-UHFFFAOYSA-N
MW454.70 g/mol
LogP9.02
Rot. Bonds20

About 2-naphthalen-1-yloxyethyl octadecanoate

2-naphthalen-1-yloxyethyl octadecanoate (PubChem CID 154105287) has the molecular formula C30H46O3 and a molecular weight of 454.70 g/mol. Its IUPAC name is 2-naphthalen-1-yloxyethyl octadecanoate.

Molecular Properties

Compound Name2-naphthalen-1-yloxyethyl octadecanoate
PubChem CID154105287
Molecular FormulaC30H46O3
Molecular Weight454.70 g/mol
Exact Mass454.34
IUPAC Name2-naphthalen-1-yloxyethyl octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)OCCOc1cccc2ccccc12
InChIInChI=1S/C30H46O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-30(31)33-26-25-32-29-23-19-21-27-20-17-18-22-28(27)29/h17-23H,2-16,24-26H2,1H3
InChIKeyRRCRNJNZZNLCRN-UHFFFAOYSA-N
XLogP9.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.70
LogP ≤ 59.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-naphthalen-1-yloxyethyl octadecanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-O-naphthalen-1-yl 1-O-pentyl decanedioate
CID 91718885
10-O-[2-(2-chlorophenoxy)ethyl] 1-O-heptyl decanedioate
CID 91742695
2-phenoxyethyl pentadecanoate
CID 21424175
2-phenoxyethyl undecanoate
CID 54508523
2-[2-(2-nonylphenoxy)ethoxy]ethyl octadecanoate
CID 3023197
5-O-naphthalen-1-yl 1-O-propyl pentanedioate
CID 91708094
1-butoxynaphthalene
CID 13262700
2-naphthalen-1-yloxyethyl acetate
CID 23049663
ethyl 19-anthracen-1-yloxynonadecanoate
CID 175607147
ethyl 15-anthracen-1-yloxypentadecanoate
CID 175607190
(2-heptanoyloxy-3-octoxyphenyl) heptanoate
CID 90024985
2-(2-phenoxyethoxy)ethyl octadecanoate
CID 18459535

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yloxyethyl octadecanoate?
The IUPAC name of 2-naphthalen-1-yloxyethyl octadecanoate (CID 154105287) is 2-naphthalen-1-yloxyethyl octadecanoate.
What is the SMILES notation for 2-naphthalen-1-yloxyethyl octadecanoate?
The canonical SMILES for 2-naphthalen-1-yloxyethyl octadecanoate is CCCCCCCCCCCCCCCCCC(=O)OCCOc1cccc2ccccc12.
What is the InChIKey of 2-naphthalen-1-yloxyethyl octadecanoate?
The InChIKey is RRCRNJNZZNLCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H46O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-30(31)33-26-25-32-29-23-19-21-27-20-17-18-22-28(27)29/h17-23H,2-16,24-26H2,1H3.
What are the key properties of 2-naphthalen-1-yloxyethyl octadecanoate?
2-naphthalen-1-yloxyethyl octadecanoate has a molecular weight of 454.70 g/mol, XLogP of 9.02, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yloxyethyl octadecanoate is sourced from PubChem (CID 154105287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).