ethyl 3-acetyloxy-2-methylidenepentanoate

C10H16O4 — CID 11171634

IUPACethyl 3-acetyloxy-2-methylidenepentanoate
SMILESC=C(C(=O)OCC)C(CC)OC(C)=O
InChIInChI=1S/C10H16O4/c1-5-9(14-8(4)11)7(3)10(12)13-6-2/h9H,3,5-6H2,1-2,4H3
InChIKeyNSKSFSMWIYUZPO-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.45
Rot. Bonds5

About ethyl 3-acetyloxy-2-methylidenepentanoate

ethyl 3-acetyloxy-2-methylidenepentanoate (PubChem CID 11171634) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is ethyl 3-acetyloxy-2-methylidenepentanoate.

Molecular Properties

Compound Nameethyl 3-acetyloxy-2-methylidenepentanoate
PubChem CID11171634
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Nameethyl 3-acetyloxy-2-methylidenepentanoate
SMILESC=C(C(=O)OCC)C(CC)OC(C)=O
InChIInChI=1S/C10H16O4/c1-5-9(14-8(4)11)7(3)10(12)13-6-2/h9H,3,5-6H2,1-2,4H3
InChIKeyNSKSFSMWIYUZPO-UHFFFAOYSA-N
XLogP1.45
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-acetyloxy-2-methylidenepentanoate?
The IUPAC name of ethyl 3-acetyloxy-2-methylidenepentanoate (CID 11171634) is ethyl 3-acetyloxy-2-methylidenepentanoate.
What is the SMILES notation for ethyl 3-acetyloxy-2-methylidenepentanoate?
The canonical SMILES for ethyl 3-acetyloxy-2-methylidenepentanoate is C=C(C(=O)OCC)C(CC)OC(C)=O.
What is the InChIKey of ethyl 3-acetyloxy-2-methylidenepentanoate?
The InChIKey is NSKSFSMWIYUZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-5-9(14-8(4)11)7(3)10(12)13-6-2/h9H,3,5-6H2,1-2,4H3.
What are the key properties of ethyl 3-acetyloxy-2-methylidenepentanoate?
ethyl 3-acetyloxy-2-methylidenepentanoate has a molecular weight of 200.23 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-acetyloxy-2-methylidenepentanoate is sourced from PubChem (CID 11171634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).