butyl 2-acetyloxypentanoate

C11H20O4 — CID 141161504

IUPACbutyl 2-acetyloxypentanoate
SMILESCCCCOC(=O)C(CCC)OC(C)=O
InChIInChI=1S/C11H20O4/c1-4-6-8-14-11(13)10(7-5-2)15-9(3)12/h10H,4-8H2,1-3H3
InChIKeyAQOZRZXRMGRDGH-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.06
Rot. Bonds7

About butyl 2-acetyloxypentanoate

butyl 2-acetyloxypentanoate (PubChem CID 141161504) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is butyl 2-acetyloxypentanoate.

Molecular Properties

Compound Namebutyl 2-acetyloxypentanoate
PubChem CID141161504
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Namebutyl 2-acetyloxypentanoate
SMILESCCCCOC(=O)C(CCC)OC(C)=O
InChIInChI=1S/C11H20O4/c1-4-6-8-14-11(13)10(7-5-2)15-9(3)12/h10H,4-8H2,1-3H3
InChIKeyAQOZRZXRMGRDGH-UHFFFAOYSA-N
XLogP2.06
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

butyl 2-acetyloxyoctadecanoate
CID 87275943
hexadecyl 2-acetyloxyhexadecanoate
CID 12071370
propyl 2-acetyloxybutanoate
CID 141161519
butyl 2-acetyl-3-oxobutanoate
CID 4571459
[(3S)-2-oxooctan-3-yl] acetate
CID 134963991
CID 159328585
CID 159328585
CID 159701402
CID 159701402
CID 87429945
CID 87429945
acetic acid;butyl acetate;propan-2-yl acetate
CID 174840013
dodecyl 2-formyloxypentanoate
CID 90948969
butyl 2-butylhexanoate;stannane
CID 172996715
(6-hydroxy-5-oxononan-4-yl) acetate
CID 14791587

Frequently Asked Questions

What is the IUPAC name of butyl 2-acetyloxypentanoate?
The IUPAC name of butyl 2-acetyloxypentanoate (CID 141161504) is butyl 2-acetyloxypentanoate.
What is the SMILES notation for butyl 2-acetyloxypentanoate?
The canonical SMILES for butyl 2-acetyloxypentanoate is CCCCOC(=O)C(CCC)OC(C)=O.
What is the InChIKey of butyl 2-acetyloxypentanoate?
The InChIKey is AQOZRZXRMGRDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-4-6-8-14-11(13)10(7-5-2)15-9(3)12/h10H,4-8H2,1-3H3.
What are the key properties of butyl 2-acetyloxypentanoate?
butyl 2-acetyloxypentanoate has a molecular weight of 216.28 g/mol, XLogP of 2.06, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-acetyloxypentanoate is sourced from PubChem (CID 141161504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).