1-naphthalen-2-ylethyl 2-propylpentanoate

C20H26O2 — CID 46886043

IUPAC1-naphthalen-2-ylethyl 2-propylpentanoate
SMILESCCCC(CCC)C(=O)OC(C)c1ccc2ccccc2c1
InChIInChI=1S/C20H26O2/c1-4-8-17(9-5-2)20(21)22-15(3)18-13-12-16-10-6-7-11-19(16)14-18/h6-7,10-15,17H,4-5,8-9H2,1-3H3
InChIKeyQDCXSDGPLIDMPU-UHFFFAOYSA-N
MW298.43 g/mol
LogP5.66
Rot. Bonds7

About 1-naphthalen-2-ylethyl 2-propylpentanoate

1-naphthalen-2-ylethyl 2-propylpentanoate (PubChem CID 46886043) has the molecular formula C20H26O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-naphthalen-2-ylethyl 2-propylpentanoate.

Molecular Properties

Compound Name1-naphthalen-2-ylethyl 2-propylpentanoate
PubChem CID46886043
Molecular FormulaC20H26O2
Molecular Weight298.43 g/mol
Exact Mass298.19
IUPAC Name1-naphthalen-2-ylethyl 2-propylpentanoate
SMILESCCCC(CCC)C(=O)OC(C)c1ccc2ccccc2c1
InChIInChI=1S/C20H26O2/c1-4-8-17(9-5-2)20(21)22-15(3)18-13-12-16-10-6-7-11-19(16)14-18/h6-7,10-15,17H,4-5,8-9H2,1-3H3
InChIKeyQDCXSDGPLIDMPU-UHFFFAOYSA-N
XLogP5.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.43
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-ylethyl 2-propylpentanoate?
The IUPAC name of 1-naphthalen-2-ylethyl 2-propylpentanoate (CID 46886043) is 1-naphthalen-2-ylethyl 2-propylpentanoate.
What is the SMILES notation for 1-naphthalen-2-ylethyl 2-propylpentanoate?
The canonical SMILES for 1-naphthalen-2-ylethyl 2-propylpentanoate is CCCC(CCC)C(=O)OC(C)c1ccc2ccccc2c1.
What is the InChIKey of 1-naphthalen-2-ylethyl 2-propylpentanoate?
The InChIKey is QDCXSDGPLIDMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O2/c1-4-8-17(9-5-2)20(21)22-15(3)18-13-12-16-10-6-7-11-19(16)14-18/h6-7,10-15,17H,4-5,8-9H2,1-3H3.
What are the key properties of 1-naphthalen-2-ylethyl 2-propylpentanoate?
1-naphthalen-2-ylethyl 2-propylpentanoate has a molecular weight of 298.43 g/mol, XLogP of 5.66, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-ylethyl 2-propylpentanoate is sourced from PubChem (CID 46886043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).