methyl 2-undeca-1,10-dienoxypropanoate

C15H26O3 — CID 167438008

IUPACmethyl 2-undeca-1,10-dienoxypropanoate
SMILESC=CCCCCCCCC=COC(C)C(=O)OC
InChIInChI=1S/C15H26O3/c1-4-5-6-7-8-9-10-11-12-13-18-14(2)15(16)17-3/h4,12-14H,1,5-11H2,2-3H3
InChIKeyKYGXWLDDGGPXLM-UHFFFAOYSA-N
MW254.37 g/mol
LogP3.99
Rot. Bonds11

About methyl 2-undeca-1,10-dienoxypropanoate

methyl 2-undeca-1,10-dienoxypropanoate (PubChem CID 167438008) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is methyl 2-undeca-1,10-dienoxypropanoate.

Molecular Properties

Compound Namemethyl 2-undeca-1,10-dienoxypropanoate
PubChem CID167438008
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Namemethyl 2-undeca-1,10-dienoxypropanoate
SMILESC=CCCCCCCCC=COC(C)C(=O)OC
InChIInChI=1S/C15H26O3/c1-4-5-6-7-8-9-10-11-12-13-18-14(2)15(16)17-3/h4,12-14H,1,5-11H2,2-3H3
InChIKeyKYGXWLDDGGPXLM-UHFFFAOYSA-N
XLogP3.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl (2R)-2-methylnon-8-enoate
CID 58289580
methyl (2E)-octadeca-2,17-dienoate
CID 11781391
dimethyl octadec-9-enedioate;methyl dec-9-enoate
CID 159471002
methyl (4E)-2-hydroxydeca-4,9-dienoate
CID 19751808
methyl 3-hept-6-enylsulfanyl-2-methylpropanoate
CID 107005995
[(1E)-octa-1,7-dienyl] acetate
CID 15724665
methyl 2-(dimethylamino)non-8-enoate
CID 58307946
methyl (2S)-2-tert-butylnon-8-enoate
CID 160706565
oct-7-enyl 2-methylpropanoate
CID 87633860
ethyl (2Z)-deca-2,9-dienoate
CID 141142906
2-methylpropyl pent-4-enyl carbonate
CID 91694409
methyl 3-methyltetradec-13-enoate
CID 22752955

Frequently Asked Questions

What is the IUPAC name of methyl 2-undeca-1,10-dienoxypropanoate?
The IUPAC name of methyl 2-undeca-1,10-dienoxypropanoate (CID 167438008) is methyl 2-undeca-1,10-dienoxypropanoate.
What is the SMILES notation for methyl 2-undeca-1,10-dienoxypropanoate?
The canonical SMILES for methyl 2-undeca-1,10-dienoxypropanoate is C=CCCCCCCCC=COC(C)C(=O)OC.
What is the InChIKey of methyl 2-undeca-1,10-dienoxypropanoate?
The InChIKey is KYGXWLDDGGPXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-4-5-6-7-8-9-10-11-12-13-18-14(2)15(16)17-3/h4,12-14H,1,5-11H2,2-3H3.
What are the key properties of methyl 2-undeca-1,10-dienoxypropanoate?
methyl 2-undeca-1,10-dienoxypropanoate has a molecular weight of 254.37 g/mol, XLogP of 3.99, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-undeca-1,10-dienoxypropanoate is sourced from PubChem (CID 167438008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).