1-methoxypropan-2-yl acetate;pentanoic acid

C11H22O5 — CID 175986355

IUPAC1-methoxypropan-2-yl acetate;pentanoic acid
SMILESCCCCC(=O)O.COCC(C)OC(C)=O
InChIInChI=1S/C6H12O3.C5H10O2/c1-5(4-8-3)9-6(2)7;1-2-3-4-5(6)7/h5H,4H2,1-3H3;2-4H2,1H3,(H,6,7)
InChIKeyJWNNIUHDUABPLM-UHFFFAOYSA-N
MW234.29 g/mol
LogP1.85
Rot. Bonds6

About 1-methoxypropan-2-yl acetate;pentanoic acid

1-methoxypropan-2-yl acetate;pentanoic acid (PubChem CID 175986355) has the molecular formula C11H22O5 and a molecular weight of 234.29 g/mol. Its IUPAC name is 1-methoxypropan-2-yl acetate;pentanoic acid.

Molecular Properties

Compound Name1-methoxypropan-2-yl acetate;pentanoic acid
PubChem CID175986355
Molecular FormulaC11H22O5
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Name1-methoxypropan-2-yl acetate;pentanoic acid
SMILESCCCCC(=O)O.COCC(C)OC(C)=O
InChIInChI=1S/C6H12O3.C5H10O2/c1-5(4-8-3)9-6(2)7;1-2-3-4-5(6)7/h5H,4H2,1-3H3;2-4H2,1H3,(H,6,7)
InChIKeyJWNNIUHDUABPLM-UHFFFAOYSA-N
XLogP1.85
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methoxyethane;1-methoxypropan-2-yl acetate
CID 174926561
acetic acid;ethoxyethane;1-methoxypropan-2-yl acetate
CID 158088534
dimethyl butanedioate;1-methoxypropan-2-yl acetate
CID 18699572
(5R)-5-acetyloxyhexanoic acid
CID 87649956
[(2R)-1-[(2S)-1-methoxypropan-2-yl]oxypropan-2-yl] acetate
CID 95051084
1-pentoxypropan-2-yl acetate
CID 87356806
1-decoxypropan-2-ol;heptan-2-one;1-methoxypropan-2-yl acetate
CID 159744680
pentanoic acid;stannane
CID 173249748
1-methoxypropan-2-yl icosanoate
CID 91752077
1-methoxypropan-2-yl acetate;4-methylpentan-2-one
CID 155229582
7-acetyloxyoctanoic acid
CID 14119881
2-acetyloxypropyl hexanoate
CID 130305079

Frequently Asked Questions

What is the IUPAC name of 1-methoxypropan-2-yl acetate;pentanoic acid?
The IUPAC name of 1-methoxypropan-2-yl acetate;pentanoic acid (CID 175986355) is 1-methoxypropan-2-yl acetate;pentanoic acid.
What is the SMILES notation for 1-methoxypropan-2-yl acetate;pentanoic acid?
The canonical SMILES for 1-methoxypropan-2-yl acetate;pentanoic acid is CCCCC(=O)O.COCC(C)OC(C)=O.
What is the InChIKey of 1-methoxypropan-2-yl acetate;pentanoic acid?
The InChIKey is JWNNIUHDUABPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3.C5H10O2/c1-5(4-8-3)9-6(2)7;1-2-3-4-5(6)7/h5H,4H2,1-3H3;2-4H2,1H3,(H,6,7).
What are the key properties of 1-methoxypropan-2-yl acetate;pentanoic acid?
1-methoxypropan-2-yl acetate;pentanoic acid has a molecular weight of 234.29 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypropan-2-yl acetate;pentanoic acid is sourced from PubChem (CID 175986355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).