[(3R)-3-[(2R)-2-methylbutanoyl]oxypentyl] (2R)-2-methylbutanoate

C15H28O4 — CID 98854584

IUPAC[(3R)-3-[(2R)-2-methylbutanoyl]oxypentyl] (2R)-2-methylbutanoate
SMILESCC[C@H](CCOC(=O)[C@H](C)CC)OC(=O)[C@H](C)CC
InChIInChI=1S/C15H28O4/c1-6-11(4)14(16)18-10-9-13(8-3)19-15(17)12(5)7-2/h11-13H,6-10H2,1-5H3/t11-,12-,13-/m1/s1
InChIKeyXJEVJEIFRGPKIE-JHJVBQTASA-N
MW272.38 g/mol
LogP3.33
Rot. Bonds9

About [(3R)-3-[(2R)-2-methylbutanoyl]oxypentyl] (2R)-2-methylbutanoate

[(3R)-3-[(2R)-2-methylbutanoyl]oxypentyl] (2R)-2-methylbutanoate (PubChem CID 98854584) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is [(3R)-3-[(2R)-2-methylbutanoyl]oxypentyl] (2R)-2-methylbutanoate.

Molecular Properties

Compound Name[(3R)-3-[(2R)-2-methylbutanoyl]oxypentyl] (2R)-2-methylbutanoate
PubChem CID98854584
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Name[(3R)-3-[(2R)-2-methylbutanoyl]oxypentyl] (2R)-2-methylbutanoate
SMILESCC[C@H](CCOC(=O)[C@H](C)CC)OC(=O)[C@H](C)CC
InChIInChI=1S/C15H28O4/c1-6-11(4)14(16)18-10-9-13(8-3)19-15(17)12(5)7-2/h11-13H,6-10H2,1-5H3/t11-,12-,13-/m1/s1
InChIKeyXJEVJEIFRGPKIE-JHJVBQTASA-N
XLogP3.33
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methylpentyl 2-methylbutanoate
CID 3019319
1,5-diaminopentan-3-yl 2-methylbutanoate
CID 88947766
propyl (2R)-2-methylbutanoate
CID 86306230
3-cyanobutyl 2-methylbutanoate
CID 58676069
methane;2-methoxyethyl 2-methylbutanoate
CID 165084023
3-[(2R)-2-methylbutanoyl]oxypropanoic acid
CID 89148058
2-ethoxyethyl (2R)-2-methylbutanoate
CID 59033497
(4-methyl-3-oxohexyl) 2-methylbutanoate
CID 58175067
2-(2-methylbutanoyloxy)propyl 2-methylbutanoate
CID 57009973
2-methylbutanoyloxymethyl 2-methylbutanoate
CID 20789926
2-(2-methylbutanoyloxy)propane-1,3-disulfonic acid
CID 89351312
ethane;ethyl 2-methylbutanoate
CID 144747106

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[(2R)-2-methylbutanoyl]oxypentyl] (2R)-2-methylbutanoate?
The IUPAC name of [(3R)-3-[(2R)-2-methylbutanoyl]oxypentyl] (2R)-2-methylbutanoate (CID 98854584) is [(3R)-3-[(2R)-2-methylbutanoyl]oxypentyl] (2R)-2-methylbutanoate.
What is the SMILES notation for [(3R)-3-[(2R)-2-methylbutanoyl]oxypentyl] (2R)-2-methylbutanoate?
The canonical SMILES for [(3R)-3-[(2R)-2-methylbutanoyl]oxypentyl] (2R)-2-methylbutanoate is CC[C@H](CCOC(=O)[C@H](C)CC)OC(=O)[C@H](C)CC.
What is the InChIKey of [(3R)-3-[(2R)-2-methylbutanoyl]oxypentyl] (2R)-2-methylbutanoate?
The InChIKey is XJEVJEIFRGPKIE-JHJVBQTASA-N. The full InChI is InChI=1S/C15H28O4/c1-6-11(4)14(16)18-10-9-13(8-3)19-15(17)12(5)7-2/h11-13H,6-10H2,1-5H3/t11-,12-,13-/m1/s1.
What are the key properties of [(3R)-3-[(2R)-2-methylbutanoyl]oxypentyl] (2R)-2-methylbutanoate?
[(3R)-3-[(2R)-2-methylbutanoyl]oxypentyl] (2R)-2-methylbutanoate has a molecular weight of 272.38 g/mol, XLogP of 3.33, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[(2R)-2-methylbutanoyl]oxypentyl] (2R)-2-methylbutanoate is sourced from PubChem (CID 98854584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).