methyl (2R,4S)-4-acetyloxy-2-propylpentanoate

C11H20O4 — CID 10680238

IUPACmethyl (2R,4S)-4-acetyloxy-2-propylpentanoate
SMILESCCCC(C[C@H](C)OC(C)=O)C(=O)OC
InChIInChI=1S/C11H20O4/c1-5-6-10(11(13)14-4)7-8(2)15-9(3)12/h8,10H,5-7H2,1-4H3/t8-,10?/m0/s1
InChIKeyVHPXWGDJDPQLNR-PEHGTWAWSA-N
MW216.28 g/mol
LogP1.92
Rot. Bonds6

About methyl (2R,4S)-4-acetyloxy-2-propylpentanoate

methyl (2R,4S)-4-acetyloxy-2-propylpentanoate (PubChem CID 10680238) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is methyl (2R,4S)-4-acetyloxy-2-propylpentanoate.

Molecular Properties

Compound Namemethyl (2R,4S)-4-acetyloxy-2-propylpentanoate
PubChem CID10680238
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Namemethyl (2R,4S)-4-acetyloxy-2-propylpentanoate
SMILESCCCC(C[C@H](C)OC(C)=O)C(=O)OC
InChIInChI=1S/C11H20O4/c1-5-6-10(11(13)14-4)7-8(2)15-9(3)12/h8,10H,5-7H2,1-4H3/t8-,10?/m0/s1
InChIKeyVHPXWGDJDPQLNR-PEHGTWAWSA-N
XLogP1.92
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2R,4S)-4-acetyloxy-2-propylpentanoate?
The IUPAC name of methyl (2R,4S)-4-acetyloxy-2-propylpentanoate (CID 10680238) is methyl (2R,4S)-4-acetyloxy-2-propylpentanoate.
What is the SMILES notation for methyl (2R,4S)-4-acetyloxy-2-propylpentanoate?
The canonical SMILES for methyl (2R,4S)-4-acetyloxy-2-propylpentanoate is CCCC(C[C@H](C)OC(C)=O)C(=O)OC.
What is the InChIKey of methyl (2R,4S)-4-acetyloxy-2-propylpentanoate?
The InChIKey is VHPXWGDJDPQLNR-PEHGTWAWSA-N. The full InChI is InChI=1S/C11H20O4/c1-5-6-10(11(13)14-4)7-8(2)15-9(3)12/h8,10H,5-7H2,1-4H3/t8-,10?/m0/s1.
What are the key properties of methyl (2R,4S)-4-acetyloxy-2-propylpentanoate?
methyl (2R,4S)-4-acetyloxy-2-propylpentanoate has a molecular weight of 216.28 g/mol, XLogP of 1.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,4S)-4-acetyloxy-2-propylpentanoate is sourced from PubChem (CID 10680238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).