methyl (E)-5-hydroxydec-2-enoate

C11H20O3 — CID 134979817

IUPACmethyl (E)-5-hydroxydec-2-enoate
SMILESCCCCCC(O)C/C=C/C(=O)OC
InChIInChI=1S/C11H20O3/c1-3-4-5-7-10(12)8-6-9-11(13)14-2/h6,9-10,12H,3-5,7-8H2,1-2H3/b9-6+
InChIKeyMJOFEFOLNMDMQG-RMKNXTFCSA-N
MW200.28 g/mol
LogP2.05
Rot. Bonds7

About methyl (E)-5-hydroxydec-2-enoate

methyl (E)-5-hydroxydec-2-enoate (PubChem CID 134979817) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is methyl (E)-5-hydroxydec-2-enoate.

Molecular Properties

Compound Namemethyl (E)-5-hydroxydec-2-enoate
PubChem CID134979817
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Namemethyl (E)-5-hydroxydec-2-enoate
SMILESCCCCCC(O)C/C=C/C(=O)OC
InChIInChI=1S/C11H20O3/c1-3-4-5-7-10(12)8-6-9-11(13)14-2/h6,9-10,12H,3-5,7-8H2,1-2H3/b9-6+
InChIKeyMJOFEFOLNMDMQG-RMKNXTFCSA-N
XLogP2.05
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 54094975
methyl 8-hydroxyoctadeca-2,4-dienoate
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5,8-dihydroxyoctadec-2-enoic acid
CID 162533273
methyl (E,4S)-4-hydroxynon-2-enoate
CID 169408597
(E)-2-methoxy-3-methylidenehexadec-4-en-7-ol
CID 11065924
(E)-5-hydroxy-N-(2-methylpropyl)dec-2-enamide
CID 11128451
methyl (2E,4Z,6Z,8E,10E,12Z,17R)-7,8,17-trihydroxydocosa-2,4,6,8,10,12-hexaenoate
CID 175821794
methyl (E)-9-hydroxytetradec-6-enoate
CID 156581365
methyl (Z,12R)-12-hydroxyoctadec-9-enoate
CID 5354133
methyl (E)-4-hexyldec-2-enoate
CID 129015528
methyl (E)-hept-2-enoate
CID 5368087
methyl (E)-9,10-dihydroxydec-2-enoate
CID 59411834

Frequently Asked Questions

What is the IUPAC name of methyl (E)-5-hydroxydec-2-enoate?
The IUPAC name of methyl (E)-5-hydroxydec-2-enoate (CID 134979817) is methyl (E)-5-hydroxydec-2-enoate.
What is the SMILES notation for methyl (E)-5-hydroxydec-2-enoate?
The canonical SMILES for methyl (E)-5-hydroxydec-2-enoate is CCCCCC(O)C/C=C/C(=O)OC.
What is the InChIKey of methyl (E)-5-hydroxydec-2-enoate?
The InChIKey is MJOFEFOLNMDMQG-RMKNXTFCSA-N. The full InChI is InChI=1S/C11H20O3/c1-3-4-5-7-10(12)8-6-9-11(13)14-2/h6,9-10,12H,3-5,7-8H2,1-2H3/b9-6+.
What are the key properties of methyl (E)-5-hydroxydec-2-enoate?
methyl (E)-5-hydroxydec-2-enoate has a molecular weight of 200.28 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-5-hydroxydec-2-enoate is sourced from PubChem (CID 134979817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).