(4-acetyloxy-1-methoxypentan-2-yl) propanoate

C11H20O5 — CID 173082808

IUPAC(4-acetyloxy-1-methoxypentan-2-yl) propanoate
SMILESCCC(=O)OC(COC)CC(C)OC(C)=O
InChIInChI=1S/C11H20O5/c1-5-11(13)16-10(7-14-4)6-8(2)15-9(3)12/h8,10H,5-7H2,1-4H3
InChIKeyBAOVYKOGHYDULH-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.30
Rot. Bonds7

About (4-acetyloxy-1-methoxypentan-2-yl) propanoate

(4-acetyloxy-1-methoxypentan-2-yl) propanoate (PubChem CID 173082808) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is (4-acetyloxy-1-methoxypentan-2-yl) propanoate.

Molecular Properties

Compound Name(4-acetyloxy-1-methoxypentan-2-yl) propanoate
PubChem CID173082808
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Name(4-acetyloxy-1-methoxypentan-2-yl) propanoate
SMILESCCC(=O)OC(COC)CC(C)OC(C)=O
InChIInChI=1S/C11H20O5/c1-5-11(13)16-10(7-14-4)6-8(2)15-9(3)12/h8,10H,5-7H2,1-4H3
InChIKeyBAOVYKOGHYDULH-UHFFFAOYSA-N
XLogP1.30
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-methoxy-3-sulfanylpropan-2-yl) propanoate
CID 23519253
methoxyethane;1-methoxypropan-2-yl acetate
CID 174926561
1,3-diacetyloxypropan-2-yl propanoate
CID 90139803
dimethyl butanedioate;1-methoxypropan-2-yl acetate
CID 18699572
[(2R)-1-hydroxy-3-methoxypropan-2-yl] acetate
CID 130694563
4-methoxybutan-2-yl propanoate
CID 145115324
[(2R)-1-[(2S)-1-methoxypropan-2-yl]oxypropan-2-yl] acetate
CID 95051084
acetic acid;ethoxyethane;1-methoxypropan-2-yl acetate
CID 158088534
1-ethoxypropan-2-yl acetate;1-methoxy-2-(2-methoxyethoxy)ethane
CID 158068416
[(2R,4S)-4-hydroxypentan-2-yl] acetate
CID 12014618
3-methylbutyl propanoate;(4-methyl-2-propanoyloxypentyl) propanoate
CID 162076358
1-methoxypropan-2-yl acetate;4-methylpentan-2-one
CID 155229582

Frequently Asked Questions

What is the IUPAC name of (4-acetyloxy-1-methoxypentan-2-yl) propanoate?
The IUPAC name of (4-acetyloxy-1-methoxypentan-2-yl) propanoate (CID 173082808) is (4-acetyloxy-1-methoxypentan-2-yl) propanoate.
What is the SMILES notation for (4-acetyloxy-1-methoxypentan-2-yl) propanoate?
The canonical SMILES for (4-acetyloxy-1-methoxypentan-2-yl) propanoate is CCC(=O)OC(COC)CC(C)OC(C)=O.
What is the InChIKey of (4-acetyloxy-1-methoxypentan-2-yl) propanoate?
The InChIKey is BAOVYKOGHYDULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5/c1-5-11(13)16-10(7-14-4)6-8(2)15-9(3)12/h8,10H,5-7H2,1-4H3.
What are the key properties of (4-acetyloxy-1-methoxypentan-2-yl) propanoate?
(4-acetyloxy-1-methoxypentan-2-yl) propanoate has a molecular weight of 232.28 g/mol, XLogP of 1.30, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetyloxy-1-methoxypentan-2-yl) propanoate is sourced from PubChem (CID 173082808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).