methyl (E)-11-(1,3-dioxolan-2-yl)undec-10-enoate

C15H26O4 — CID 12940610

IUPACmethyl (E)-11-(1,3-dioxolan-2-yl)undec-10-enoate
SMILESCOC(=O)CCCCCCCC/C=C/C1OCCO1
InChIInChI=1S/C15H26O4/c1-17-14(16)10-8-6-4-2-3-5-7-9-11-15-18-12-13-19-15/h9,11,15H,2-8,10,12-13H2,1H3/b11-9+
InChIKeyONDFVJBKGYDNRI-PKNBQFBNSA-N
MW270.37 g/mol
LogP3.21
Rot. Bonds10

About methyl (E)-11-(1,3-dioxolan-2-yl)undec-10-enoate

methyl (E)-11-(1,3-dioxolan-2-yl)undec-10-enoate (PubChem CID 12940610) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is methyl (E)-11-(1,3-dioxolan-2-yl)undec-10-enoate.

Molecular Properties

Compound Namemethyl (E)-11-(1,3-dioxolan-2-yl)undec-10-enoate
PubChem CID12940610
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Namemethyl (E)-11-(1,3-dioxolan-2-yl)undec-10-enoate
SMILESCOC(=O)CCCCCCCC/C=C/C1OCCO1
InChIInChI=1S/C15H26O4/c1-17-14(16)10-8-6-4-2-3-5-7-9-11-15-18-12-13-19-15/h9,11,15H,2-8,10,12-13H2,1H3/b11-9+
InChIKeyONDFVJBKGYDNRI-PKNBQFBNSA-N
XLogP3.21
TPSA44.76 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 ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (E)-11-(1,3-dioxolan-2-yl)undec-10-enoate?
The IUPAC name of methyl (E)-11-(1,3-dioxolan-2-yl)undec-10-enoate (CID 12940610) is methyl (E)-11-(1,3-dioxolan-2-yl)undec-10-enoate.
What is the SMILES notation for methyl (E)-11-(1,3-dioxolan-2-yl)undec-10-enoate?
The canonical SMILES for methyl (E)-11-(1,3-dioxolan-2-yl)undec-10-enoate is COC(=O)CCCCCCCC/C=C/C1OCCO1.
What is the InChIKey of methyl (E)-11-(1,3-dioxolan-2-yl)undec-10-enoate?
The InChIKey is ONDFVJBKGYDNRI-PKNBQFBNSA-N. The full InChI is InChI=1S/C15H26O4/c1-17-14(16)10-8-6-4-2-3-5-7-9-11-15-18-12-13-19-15/h9,11,15H,2-8,10,12-13H2,1H3/b11-9+.
What are the key properties of methyl (E)-11-(1,3-dioxolan-2-yl)undec-10-enoate?
methyl (E)-11-(1,3-dioxolan-2-yl)undec-10-enoate has a molecular weight of 270.37 g/mol, XLogP of 3.21, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-11-(1,3-dioxolan-2-yl)undec-10-enoate is sourced from PubChem (CID 12940610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).