methyl (Z)-5-hydroxy-3-methoxytetradec-2-enoate

C16H30O4 — CID 101474321

IUPACmethyl (Z)-5-hydroxy-3-methoxytetradec-2-enoate
SMILESCCCCCCCCCC(O)C/C(=C/C(=O)OC)OC
InChIInChI=1S/C16H30O4/c1-4-5-6-7-8-9-10-11-14(17)12-15(19-2)13-16(18)20-3/h13-14,17H,4-12H2,1-3H3/b15-13-
InChIKeySBCAGBGFGMNWGJ-SQFISAMPSA-N
MW286.41 g/mol
LogP3.58
Rot. Bonds12

About methyl (Z)-5-hydroxy-3-methoxytetradec-2-enoate

methyl (Z)-5-hydroxy-3-methoxytetradec-2-enoate (PubChem CID 101474321) has the molecular formula C16H30O4 and a molecular weight of 286.41 g/mol. Its IUPAC name is methyl (Z)-5-hydroxy-3-methoxytetradec-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-5-hydroxy-3-methoxytetradec-2-enoate
PubChem CID101474321
Molecular FormulaC16H30O4
Molecular Weight286.41 g/mol
Exact Mass286.21
IUPAC Namemethyl (Z)-5-hydroxy-3-methoxytetradec-2-enoate
SMILESCCCCCCCCCC(O)C/C(=C/C(=O)OC)OC
InChIInChI=1S/C16H30O4/c1-4-5-6-7-8-9-10-11-14(17)12-15(19-2)13-16(18)20-3/h13-14,17H,4-12H2,1-3H3/b15-13-
InChIKeySBCAGBGFGMNWGJ-SQFISAMPSA-N
XLogP3.58
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z,5R)-5-hydroxy-3-methoxydec-2-enoic acid
CID 162854311
methyl (Z)-3-methoxyoct-2-enoate
CID 129407763
octadecyl 3-hydroxydocosanoate
CID 139650749
methyl (E)-5-hydroxydec-2-enoate
CID 134979817
trimethyl (Z,5R)-5-hydroxytetradec-2-ene-1,2,3-tricarboxylate
CID 87217106
3-hydroxyoctadecanoic acid
CID 158545826
3-hydroxytetracosanoic acid
CID 5312781
methyl (3R,5S)-3,5-dihydroxyoctadecanoate
CID 102207188
methyl 10-hydroxy-12-oxooctadecanoate
CID 101174504
methyl (E)-3-hydroxyhexadec-7-enoate
CID 24788055
methyl 8-hydroxyoctadeca-2,4-dienoate
CID 90770344
2-hexyl-5-hydroxy-3-oxohexadecanoic acid
CID 18546941

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-5-hydroxy-3-methoxytetradec-2-enoate?
The IUPAC name of methyl (Z)-5-hydroxy-3-methoxytetradec-2-enoate (CID 101474321) is methyl (Z)-5-hydroxy-3-methoxytetradec-2-enoate.
What is the SMILES notation for methyl (Z)-5-hydroxy-3-methoxytetradec-2-enoate?
The canonical SMILES for methyl (Z)-5-hydroxy-3-methoxytetradec-2-enoate is CCCCCCCCCC(O)C/C(=C/C(=O)OC)OC.
What is the InChIKey of methyl (Z)-5-hydroxy-3-methoxytetradec-2-enoate?
The InChIKey is SBCAGBGFGMNWGJ-SQFISAMPSA-N. The full InChI is InChI=1S/C16H30O4/c1-4-5-6-7-8-9-10-11-14(17)12-15(19-2)13-16(18)20-3/h13-14,17H,4-12H2,1-3H3/b15-13-.
What are the key properties of methyl (Z)-5-hydroxy-3-methoxytetradec-2-enoate?
methyl (Z)-5-hydroxy-3-methoxytetradec-2-enoate has a molecular weight of 286.41 g/mol, XLogP of 3.58, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-5-hydroxy-3-methoxytetradec-2-enoate is sourced from PubChem (CID 101474321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).