2-acetyloxypentyl acetate

C9H16O4 — CID 11127029

IUPAC2-acetyloxypentyl acetate
SMILESCCCC(COC(C)=O)OC(C)=O
InChIInChI=1S/C9H16O4/c1-4-5-9(13-8(3)11)6-12-7(2)10/h9H,4-6H2,1-3H3
InChIKeyLHVVXTYRGRQGLP-UHFFFAOYSA-N
MW188.22 g/mol
LogP1.28
Rot. Bonds5

About 2-acetyloxypentyl acetate

2-acetyloxypentyl acetate (PubChem CID 11127029) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is 2-acetyloxypentyl acetate.

Molecular Properties

Compound Name2-acetyloxypentyl acetate
PubChem CID11127029
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name2-acetyloxypentyl acetate
SMILESCCCC(COC(C)=O)OC(C)=O
InChIInChI=1S/C9H16O4/c1-4-5-9(13-8(3)11)6-12-7(2)10/h9H,4-6H2,1-3H3
InChIKeyLHVVXTYRGRQGLP-UHFFFAOYSA-N
XLogP1.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-acetyloxypentyl acetate?
The IUPAC name of 2-acetyloxypentyl acetate (CID 11127029) is 2-acetyloxypentyl acetate.
What is the SMILES notation for 2-acetyloxypentyl acetate?
The canonical SMILES for 2-acetyloxypentyl acetate is CCCC(COC(C)=O)OC(C)=O.
What is the InChIKey of 2-acetyloxypentyl acetate?
The InChIKey is LHVVXTYRGRQGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-4-5-9(13-8(3)11)6-12-7(2)10/h9H,4-6H2,1-3H3.
What are the key properties of 2-acetyloxypentyl acetate?
2-acetyloxypentyl acetate has a molecular weight of 188.22 g/mol, XLogP of 1.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyloxypentyl acetate is sourced from PubChem (CID 11127029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).