2-propylpentanoyl 2-propylpentanoate

C16H30O3 — CID 10923624

IUPAC2-propylpentanoyl 2-propylpentanoate
SMILESCCCC(CCC)C(=O)OC(=O)C(CCC)CCC
InChIInChI=1S/C16H30O3/c1-5-9-13(10-6-2)15(17)19-16(18)14(11-7-3)12-8-4/h13-14H,5-12H2,1-4H3
InChIKeyGYIUDLLQLVWKPP-UHFFFAOYSA-N
MW270.41 g/mol
LogP4.49
Rot. Bonds10

About 2-propylpentanoyl 2-propylpentanoate

2-propylpentanoyl 2-propylpentanoate (PubChem CID 10923624) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is 2-propylpentanoyl 2-propylpentanoate.

Molecular Properties

Compound Name2-propylpentanoyl 2-propylpentanoate
PubChem CID10923624
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Name2-propylpentanoyl 2-propylpentanoate
SMILESCCCC(CCC)C(=O)OC(=O)C(CCC)CCC
InChIInChI=1S/C16H30O3/c1-5-9-13(10-6-2)15(17)19-16(18)14(11-7-3)12-8-4/h13-14H,5-12H2,1-4H3
InChIKeyGYIUDLLQLVWKPP-UHFFFAOYSA-N
XLogP4.49
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-propylnonanoyl 2-propylnonanoate
CID 54359138
(2-aminoacetyl) 2-propylpentanoate
CID 87611330
2-propylhept-6-enoyl 2-propylhept-6-enoate
CID 139914283
ethene;ethyl 2-propylpentanoate
CID 160741230
silyl 2-propylpentanoate
CID 123713518
[(Z)-2-ethyloct-6-enoyl] (Z)-2-propylhept-5-enoate
CID 175339992
cyanomethyl 2-propylpentanoate
CID 140799201
2-ethylpentaneperoxoic acid
CID 178072085
2-hexadecyloctadec-9-enoyl 2-hexadecyloctadec-9-enoate
CID 173425586
2-cyanoethylcarbamoyl 2-propylpentanoate
CID 91552443
methyl 2-propyltetradecanoate
CID 174361538
(2S)-2-amino-3-(2-propylpentanoyloxy)propanoic acid
CID 58732233

Frequently Asked Questions

What is the IUPAC name of 2-propylpentanoyl 2-propylpentanoate?
The IUPAC name of 2-propylpentanoyl 2-propylpentanoate (CID 10923624) is 2-propylpentanoyl 2-propylpentanoate.
What is the SMILES notation for 2-propylpentanoyl 2-propylpentanoate?
The canonical SMILES for 2-propylpentanoyl 2-propylpentanoate is CCCC(CCC)C(=O)OC(=O)C(CCC)CCC.
What is the InChIKey of 2-propylpentanoyl 2-propylpentanoate?
The InChIKey is GYIUDLLQLVWKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3/c1-5-9-13(10-6-2)15(17)19-16(18)14(11-7-3)12-8-4/h13-14H,5-12H2,1-4H3.
What are the key properties of 2-propylpentanoyl 2-propylpentanoate?
2-propylpentanoyl 2-propylpentanoate has a molecular weight of 270.41 g/mol, XLogP of 4.49, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylpentanoyl 2-propylpentanoate is sourced from PubChem (CID 10923624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).