methyl 11-(1,3-dioxolan-2-yl)undecanoate

C15H28O4 — CID 10635929

IUPACmethyl 11-(1,3-dioxolan-2-yl)undecanoate
SMILESCOC(=O)CCCCCCCCCCC1OCCO1
InChIInChI=1S/C15H28O4/c1-17-14(16)10-8-6-4-2-3-5-7-9-11-15-18-12-13-19-15/h15H,2-13H2,1H3
InChIKeyCHBRVHSJTKJHQS-UHFFFAOYSA-N
MW272.38 g/mol
LogP3.43
Rot. Bonds11

About methyl 11-(1,3-dioxolan-2-yl)undecanoate

methyl 11-(1,3-dioxolan-2-yl)undecanoate (PubChem CID 10635929) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is methyl 11-(1,3-dioxolan-2-yl)undecanoate.

Molecular Properties

Compound Namemethyl 11-(1,3-dioxolan-2-yl)undecanoate
PubChem CID10635929
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Namemethyl 11-(1,3-dioxolan-2-yl)undecanoate
SMILESCOC(=O)CCCCCCCCCCC1OCCO1
InChIInChI=1S/C15H28O4/c1-17-14(16)10-8-6-4-2-3-5-7-9-11-15-18-12-13-19-15/h15H,2-13H2,1H3
InChIKeyCHBRVHSJTKJHQS-UHFFFAOYSA-N
XLogP3.43
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 11-(1,3-dioxolan-2-yl)undecanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 11-(1,3-dioxolan-2-yl)undecanoate?
The IUPAC name of methyl 11-(1,3-dioxolan-2-yl)undecanoate (CID 10635929) is methyl 11-(1,3-dioxolan-2-yl)undecanoate.
What is the SMILES notation for methyl 11-(1,3-dioxolan-2-yl)undecanoate?
The canonical SMILES for methyl 11-(1,3-dioxolan-2-yl)undecanoate is COC(=O)CCCCCCCCCCC1OCCO1.
What is the InChIKey of methyl 11-(1,3-dioxolan-2-yl)undecanoate?
The InChIKey is CHBRVHSJTKJHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O4/c1-17-14(16)10-8-6-4-2-3-5-7-9-11-15-18-12-13-19-15/h15H,2-13H2,1H3.
What are the key properties of methyl 11-(1,3-dioxolan-2-yl)undecanoate?
methyl 11-(1,3-dioxolan-2-yl)undecanoate has a molecular weight of 272.38 g/mol, XLogP of 3.43, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 11-(1,3-dioxolan-2-yl)undecanoate is sourced from PubChem (CID 10635929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).