methyl 3-acetyloxy-2-methylideneundecanoate

C15H26O4 — CID 11737315

IUPACmethyl 3-acetyloxy-2-methylideneundecanoate
SMILESC=C(C(=O)OC)C(CCCCCCCC)OC(C)=O
InChIInChI=1S/C15H26O4/c1-5-6-7-8-9-10-11-14(19-13(3)16)12(2)15(17)18-4/h14H,2,5-11H2,1,3-4H3
InChIKeyOQKRYSSAJQLEBF-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.40
Rot. Bonds10

About methyl 3-acetyloxy-2-methylideneundecanoate

methyl 3-acetyloxy-2-methylideneundecanoate (PubChem CID 11737315) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is methyl 3-acetyloxy-2-methylideneundecanoate.

Molecular Properties

Compound Namemethyl 3-acetyloxy-2-methylideneundecanoate
PubChem CID11737315
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Namemethyl 3-acetyloxy-2-methylideneundecanoate
SMILESC=C(C(=O)OC)C(CCCCCCCC)OC(C)=O
InChIInChI=1S/C15H26O4/c1-5-6-7-8-9-10-11-14(19-13(3)16)12(2)15(17)18-4/h14H,2,5-11H2,1,3-4H3
InChIKeyOQKRYSSAJQLEBF-UHFFFAOYSA-N
XLogP3.40
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-acetyloxy-2-methylideneundecanoate?
The IUPAC name of methyl 3-acetyloxy-2-methylideneundecanoate (CID 11737315) is methyl 3-acetyloxy-2-methylideneundecanoate.
What is the SMILES notation for methyl 3-acetyloxy-2-methylideneundecanoate?
The canonical SMILES for methyl 3-acetyloxy-2-methylideneundecanoate is C=C(C(=O)OC)C(CCCCCCCC)OC(C)=O.
What is the InChIKey of methyl 3-acetyloxy-2-methylideneundecanoate?
The InChIKey is OQKRYSSAJQLEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4/c1-5-6-7-8-9-10-11-14(19-13(3)16)12(2)15(17)18-4/h14H,2,5-11H2,1,3-4H3.
What are the key properties of methyl 3-acetyloxy-2-methylideneundecanoate?
methyl 3-acetyloxy-2-methylideneundecanoate has a molecular weight of 270.37 g/mol, XLogP of 3.40, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-acetyloxy-2-methylideneundecanoate is sourced from PubChem (CID 11737315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).