methyl (E)-9,10-dihydroxydec-2-enoate

C11H20O4 — CID 59411834

IUPACmethyl (E)-9,10-dihydroxydec-2-enoate
SMILESCOC(=O)/C=C/CCCCCC(O)CO
InChIInChI=1S/C11H20O4/c1-15-11(14)8-6-4-2-3-5-7-10(13)9-12/h6,8,10,12-13H,2-5,7,9H2,1H3/b8-6+
InChIKeyYQWLJZCYLQDGQS-SOFGYWHQSA-N
MW216.28 g/mol
LogP1.02
Rot. Bonds8

About methyl (E)-9,10-dihydroxydec-2-enoate

methyl (E)-9,10-dihydroxydec-2-enoate (PubChem CID 59411834) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is methyl (E)-9,10-dihydroxydec-2-enoate.

Molecular Properties

Compound Namemethyl (E)-9,10-dihydroxydec-2-enoate
PubChem CID59411834
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Namemethyl (E)-9,10-dihydroxydec-2-enoate
SMILESCOC(=O)/C=C/CCCCCC(O)CO
InChIInChI=1S/C11H20O4/c1-15-11(14)8-6-4-2-3-5-7-10(13)9-12/h6,8,10,12-13H,2-5,7,9H2,1H3/b8-6+
InChIKeyYQWLJZCYLQDGQS-SOFGYWHQSA-N
XLogP1.02
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (E)-9,10-dihydroxydec-2-enoate with MolForge

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

Launch Full Analysis

Related Compounds

methyl (E)-7,8-dihydroxyoct-2-enoate
CID 15347118
dimethyl (2E,14E)-8,9-dihydroxyhexadeca-2,14-dienedioate
CID 15695640
methyl (Z)-14-cyclopropyl-14-hydroxytetradec-2-enoate
CID 11277889
11,12-dihydroxydodec-2-enoic acid
CID 154629729
9,10-dihydroxydec-2-enoic acid
CID 74394352
methyl (E)-7-hydroxyoct-2-enoate
CID 11062875
methyl (2E)-octadeca-2,17-dienoate
CID 11781391
dimethyl undec-2-enedioate
CID 71341268
methyl (E)-5-hydroxydec-2-enoate
CID 134979817
2,3-dihydroxypropyl pentadec-2-enoate
CID 154029463
2,3-dihydroxypropyl (Z)-octadec-2-enoate
CID 162719596
2,3-dihydroxypropyl (E)-heptadec-2-enoate
CID 137478221

Frequently Asked Questions

What is the IUPAC name of methyl (E)-9,10-dihydroxydec-2-enoate?
The IUPAC name of methyl (E)-9,10-dihydroxydec-2-enoate (CID 59411834) is methyl (E)-9,10-dihydroxydec-2-enoate.
What is the SMILES notation for methyl (E)-9,10-dihydroxydec-2-enoate?
The canonical SMILES for methyl (E)-9,10-dihydroxydec-2-enoate is COC(=O)/C=C/CCCCCC(O)CO.
What is the InChIKey of methyl (E)-9,10-dihydroxydec-2-enoate?
The InChIKey is YQWLJZCYLQDGQS-SOFGYWHQSA-N. The full InChI is InChI=1S/C11H20O4/c1-15-11(14)8-6-4-2-3-5-7-10(13)9-12/h6,8,10,12-13H,2-5,7,9H2,1H3/b8-6+.
What are the key properties of methyl (E)-9,10-dihydroxydec-2-enoate?
methyl (E)-9,10-dihydroxydec-2-enoate has a molecular weight of 216.28 g/mol, XLogP of 1.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-9,10-dihydroxydec-2-enoate is sourced from PubChem (CID 59411834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).