acetyl 5-acetyloxy-2-methylidenepentanoate

C10H14O5 — CID 57312149

IUPACacetyl 5-acetyloxy-2-methylidenepentanoate
SMILESC=C(CCCOC(C)=O)C(=O)OC(C)=O
InChIInChI=1S/C10H14O5/c1-7(10(13)15-9(3)12)5-4-6-14-8(2)11/h1,4-6H2,2-3H3
InChIKeyGYQWXIDWGMTLJQ-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.98
Rot. Bonds5

About acetyl 5-acetyloxy-2-methylidenepentanoate

acetyl 5-acetyloxy-2-methylidenepentanoate (PubChem CID 57312149) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is acetyl 5-acetyloxy-2-methylidenepentanoate.

Molecular Properties

Compound Nameacetyl 5-acetyloxy-2-methylidenepentanoate
PubChem CID57312149
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Nameacetyl 5-acetyloxy-2-methylidenepentanoate
SMILESC=C(CCCOC(C)=O)C(=O)OC(C)=O
InChIInChI=1S/C10H14O5/c1-7(10(13)15-9(3)12)5-4-6-14-8(2)11/h1,4-6H2,2-3H3
InChIKeyGYQWXIDWGMTLJQ-UHFFFAOYSA-N
XLogP0.98
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acetyl 5-acetyloxy-2-methylidenepentanoate?
The IUPAC name of acetyl 5-acetyloxy-2-methylidenepentanoate (CID 57312149) is acetyl 5-acetyloxy-2-methylidenepentanoate.
What is the SMILES notation for acetyl 5-acetyloxy-2-methylidenepentanoate?
The canonical SMILES for acetyl 5-acetyloxy-2-methylidenepentanoate is C=C(CCCOC(C)=O)C(=O)OC(C)=O.
What is the InChIKey of acetyl 5-acetyloxy-2-methylidenepentanoate?
The InChIKey is GYQWXIDWGMTLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5/c1-7(10(13)15-9(3)12)5-4-6-14-8(2)11/h1,4-6H2,2-3H3.
What are the key properties of acetyl 5-acetyloxy-2-methylidenepentanoate?
acetyl 5-acetyloxy-2-methylidenepentanoate has a molecular weight of 214.22 g/mol, XLogP of 0.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl 5-acetyloxy-2-methylidenepentanoate is sourced from PubChem (CID 57312149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).