ethyl 2-acetyloxy-4-methylpentanoate

C10H18O4 — CID 85344622

IUPACethyl 2-acetyloxy-4-methylpentanoate
SMILESCCOC(=O)C(CC(C)C)OC(C)=O
InChIInChI=1S/C10H18O4/c1-5-13-10(12)9(6-7(2)3)14-8(4)11/h7,9H,5-6H2,1-4H3
InChIKeyJDPASXFKFJCIDK-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.53
Rot. Bonds5

About ethyl 2-acetyloxy-4-methylpentanoate

ethyl 2-acetyloxy-4-methylpentanoate (PubChem CID 85344622) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is ethyl 2-acetyloxy-4-methylpentanoate.

Molecular Properties

Compound Nameethyl 2-acetyloxy-4-methylpentanoate
PubChem CID85344622
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Nameethyl 2-acetyloxy-4-methylpentanoate
SMILESCCOC(=O)C(CC(C)C)OC(C)=O
InChIInChI=1S/C10H18O4/c1-5-13-10(12)9(6-7(2)3)14-8(4)11/h7,9H,5-6H2,1-4H3
InChIKeyJDPASXFKFJCIDK-UHFFFAOYSA-N
XLogP1.53
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetyloxy-4-methylpentanoate?
The IUPAC name of ethyl 2-acetyloxy-4-methylpentanoate (CID 85344622) is ethyl 2-acetyloxy-4-methylpentanoate.
What is the SMILES notation for ethyl 2-acetyloxy-4-methylpentanoate?
The canonical SMILES for ethyl 2-acetyloxy-4-methylpentanoate is CCOC(=O)C(CC(C)C)OC(C)=O.
What is the InChIKey of ethyl 2-acetyloxy-4-methylpentanoate?
The InChIKey is JDPASXFKFJCIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-5-13-10(12)9(6-7(2)3)14-8(4)11/h7,9H,5-6H2,1-4H3.
What are the key properties of ethyl 2-acetyloxy-4-methylpentanoate?
ethyl 2-acetyloxy-4-methylpentanoate has a molecular weight of 202.25 g/mol, XLogP of 1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetyloxy-4-methylpentanoate is sourced from PubChem (CID 85344622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).