prop-2-enyl (4E,9E)-3,11-dihydroxy-4-methylundeca-4,9-dienoate

C15H24O4 — CID 11011006

IUPACprop-2-enyl (4E,9E)-3,11-dihydroxy-4-methylundeca-4,9-dienoate
SMILESC=CCOC(=O)CC(O)/C(C)=C/CCC/C=C/CO
InChIInChI=1S/C15H24O4/c1-3-11-19-15(18)12-14(17)13(2)9-7-5-4-6-8-10-16/h3,6,8-9,14,16-17H,1,4-5,7,10-12H2,2H3/b8-6+,13-9+
InChIKeyAZBGKUVPOMVSDY-NRKDHPQSSA-N
MW268.35 g/mol
LogP2.13
Rot. Bonds10

About prop-2-enyl (4E,9E)-3,11-dihydroxy-4-methylundeca-4,9-dienoate

prop-2-enyl (4E,9E)-3,11-dihydroxy-4-methylundeca-4,9-dienoate (PubChem CID 11011006) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is prop-2-enyl (4E,9E)-3,11-dihydroxy-4-methylundeca-4,9-dienoate.

Molecular Properties

Compound Nameprop-2-enyl (4E,9E)-3,11-dihydroxy-4-methylundeca-4,9-dienoate
PubChem CID11011006
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Nameprop-2-enyl (4E,9E)-3,11-dihydroxy-4-methylundeca-4,9-dienoate
SMILESC=CCOC(=O)CC(O)/C(C)=C/CCC/C=C/CO
InChIInChI=1S/C15H24O4/c1-3-11-19-15(18)12-14(17)13(2)9-7-5-4-6-8-10-16/h3,6,8-9,14,16-17H,1,4-5,7,10-12H2,2H3/b8-6+,13-9+
InChIKeyAZBGKUVPOMVSDY-NRKDHPQSSA-N
XLogP2.13
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze prop-2-enyl (4E,9E)-3,11-dihydroxy-4-methylundeca-4,9-dienoate with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (4E,9E)-3,11-dihydroxy-4-methylundeca-4,9-dienoate?
The IUPAC name of prop-2-enyl (4E,9E)-3,11-dihydroxy-4-methylundeca-4,9-dienoate (CID 11011006) is prop-2-enyl (4E,9E)-3,11-dihydroxy-4-methylundeca-4,9-dienoate.
What is the SMILES notation for prop-2-enyl (4E,9E)-3,11-dihydroxy-4-methylundeca-4,9-dienoate?
The canonical SMILES for prop-2-enyl (4E,9E)-3,11-dihydroxy-4-methylundeca-4,9-dienoate is C=CCOC(=O)CC(O)/C(C)=C/CCC/C=C/CO.
What is the InChIKey of prop-2-enyl (4E,9E)-3,11-dihydroxy-4-methylundeca-4,9-dienoate?
The InChIKey is AZBGKUVPOMVSDY-NRKDHPQSSA-N. The full InChI is InChI=1S/C15H24O4/c1-3-11-19-15(18)12-14(17)13(2)9-7-5-4-6-8-10-16/h3,6,8-9,14,16-17H,1,4-5,7,10-12H2,2H3/b8-6+,13-9+.
What are the key properties of prop-2-enyl (4E,9E)-3,11-dihydroxy-4-methylundeca-4,9-dienoate?
prop-2-enyl (4E,9E)-3,11-dihydroxy-4-methylundeca-4,9-dienoate has a molecular weight of 268.35 g/mol, XLogP of 2.13, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (4E,9E)-3,11-dihydroxy-4-methylundeca-4,9-dienoate is sourced from PubChem (CID 11011006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).