methyl (E)-3-hydroxydodec-5-enoate

C13H24O3 — CID 15089809

IUPACmethyl (E)-3-hydroxydodec-5-enoate
SMILESCCCCCC/C=C/CC(O)CC(=O)OC
InChIInChI=1S/C13H24O3/c1-3-4-5-6-7-8-9-10-12(14)11-13(15)16-2/h8-9,12,14H,3-7,10-11H2,1-2H3/b9-8+
InChIKeyWQAMZSPBYWALBP-CMDGGOBGSA-N
MW228.33 g/mol
LogP2.83
Rot. Bonds9

About methyl (E)-3-hydroxydodec-5-enoate

methyl (E)-3-hydroxydodec-5-enoate (PubChem CID 15089809) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is methyl (E)-3-hydroxydodec-5-enoate.

Molecular Properties

Compound Namemethyl (E)-3-hydroxydodec-5-enoate
PubChem CID15089809
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Namemethyl (E)-3-hydroxydodec-5-enoate
SMILESCCCCCC/C=C/CC(O)CC(=O)OC
InChIInChI=1S/C13H24O3/c1-3-4-5-6-7-8-9-10-12(14)11-13(15)16-2/h8-9,12,14H,3-7,10-11H2,1-2H3/b9-8+
InChIKeyWQAMZSPBYWALBP-CMDGGOBGSA-N
XLogP2.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (E,3S)-3-hydroxydec-5-enoate
CID 642276
methyl (E)-3-hydroxyhexadec-7-enoate
CID 24788055
methyl (Z,12R)-12-hydroxyoctadec-9-enoate
CID 5354133
3-hydroxytetradec-5-enoic acid
CID 73443469
CID 175883907
CID 175883907
methyl (E)-9-hydroxytetradec-6-enoate
CID 156581365
ethyl (Z)-3,12-dihydroxydodec-5-enoate
CID 146253641
methyl (Z)-dotriacont-15-enoate
CID 100966062
methyl octadec-7-enoate
CID 543314
methyl (Z)-octadec-12-enoate
CID 12963317
methyl (Z)-octadec-9-enoate
CID 5364509
methyl tridec-3-enoate
CID 72597559

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-hydroxydodec-5-enoate?
The IUPAC name of methyl (E)-3-hydroxydodec-5-enoate (CID 15089809) is methyl (E)-3-hydroxydodec-5-enoate.
What is the SMILES notation for methyl (E)-3-hydroxydodec-5-enoate?
The canonical SMILES for methyl (E)-3-hydroxydodec-5-enoate is CCCCCC/C=C/CC(O)CC(=O)OC.
What is the InChIKey of methyl (E)-3-hydroxydodec-5-enoate?
The InChIKey is WQAMZSPBYWALBP-CMDGGOBGSA-N. The full InChI is InChI=1S/C13H24O3/c1-3-4-5-6-7-8-9-10-12(14)11-13(15)16-2/h8-9,12,14H,3-7,10-11H2,1-2H3/b9-8+.
What are the key properties of methyl (E)-3-hydroxydodec-5-enoate?
methyl (E)-3-hydroxydodec-5-enoate has a molecular weight of 228.33 g/mol, XLogP of 2.83, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-hydroxydodec-5-enoate is sourced from PubChem (CID 15089809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).