methyl (4E)-2-hydroxydeca-4,9-dienoate

C11H18O3 — CID 19751808

IUPACmethyl (4E)-2-hydroxydeca-4,9-dienoate
SMILESC=CCCC/C=C/CC(O)C(=O)OC
InChIInChI=1S/C11H18O3/c1-3-4-5-6-7-8-9-10(12)11(13)14-2/h3,7-8,10,12H,1,4-6,9H2,2H3/b8-7+
InChIKeyHVIHRLLKPCCYQX-BQYQJAHWSA-N
MW198.26 g/mol
LogP1.82
Rot. Bonds7

About methyl (4E)-2-hydroxydeca-4,9-dienoate

methyl (4E)-2-hydroxydeca-4,9-dienoate (PubChem CID 19751808) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is methyl (4E)-2-hydroxydeca-4,9-dienoate.

Molecular Properties

Compound Namemethyl (4E)-2-hydroxydeca-4,9-dienoate
PubChem CID19751808
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Namemethyl (4E)-2-hydroxydeca-4,9-dienoate
SMILESC=CCCC/C=C/CC(O)C(=O)OC
InChIInChI=1S/C11H18O3/c1-3-4-5-6-7-8-9-10(12)11(13)14-2/h3,7-8,10,12H,1,4-6,9H2,2H3/b8-7+
InChIKeyHVIHRLLKPCCYQX-BQYQJAHWSA-N
XLogP1.82
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.82
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 (5E)-undeca-5,10-dienoate
CID 102118350
methyl (2S)-2-hydroxy-2-pent-4-enoxyacetate
CID 101037697
methyl (2E,5E)-undeca-2,5,10-trienoate
CID 5362640
methyl (2R)-2-hydroxy-2-pent-4-enoxyacetate
CID 101037696
methyl 2-undeca-1,10-dienoxypropanoate
CID 167438008
methyl (2S,4Z,6Z)-8-chloro-2-hydroxyocta-4,6-dienoate
CID 121367179
dimethyl octadec-9-enedioate;methyl dec-9-enoate
CID 159471002
dodeca-1,6,11-triene
CID 548864
methyl (2E)-octadeca-2,17-dienoate
CID 11781391
methyl (2R)-2-methylnon-8-enoate
CID 58289580
methyl 2-hydroxynon-7-enoate
CID 174951133
methyl 2-octa-2,7-dienylundeca-2,5,10-trienoate
CID 71373917

Frequently Asked Questions

What is the IUPAC name of methyl (4E)-2-hydroxydeca-4,9-dienoate?
The IUPAC name of methyl (4E)-2-hydroxydeca-4,9-dienoate (CID 19751808) is methyl (4E)-2-hydroxydeca-4,9-dienoate.
What is the SMILES notation for methyl (4E)-2-hydroxydeca-4,9-dienoate?
The canonical SMILES for methyl (4E)-2-hydroxydeca-4,9-dienoate is C=CCCC/C=C/CC(O)C(=O)OC.
What is the InChIKey of methyl (4E)-2-hydroxydeca-4,9-dienoate?
The InChIKey is HVIHRLLKPCCYQX-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H18O3/c1-3-4-5-6-7-8-9-10(12)11(13)14-2/h3,7-8,10,12H,1,4-6,9H2,2H3/b8-7+.
What are the key properties of methyl (4E)-2-hydroxydeca-4,9-dienoate?
methyl (4E)-2-hydroxydeca-4,9-dienoate has a molecular weight of 198.26 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4E)-2-hydroxydeca-4,9-dienoate is sourced from PubChem (CID 19751808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).