(2Z,4E,6R,9R)-6,9-dihydroxydeca-2,4-dienoic acid

C10H16O4 — CID 139589661

IUPAC(2Z,4E,6R,9R)-6,9-dihydroxydeca-2,4-dienoic acid
SMILESC[C@@H](O)CC[C@@H](O)/C=C/C=C\C(=O)O
InChIInChI=1S/C10H16O4/c1-8(11)6-7-9(12)4-2-3-5-10(13)14/h2-5,8-9,11-12H,6-7H2,1H3,(H,13,14)/b4-2+,5-3-/t8-,9+/m1/s1
InChIKeyQMMVXQIBLWLVGD-DKWSLFAKSA-N
MW200.23 g/mol
LogP0.71
Rot. Bonds6

About (2Z,4E,6R,9R)-6,9-dihydroxydeca-2,4-dienoic acid

(2Z,4E,6R,9R)-6,9-dihydroxydeca-2,4-dienoic acid (PubChem CID 139589661) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is (2Z,4E,6R,9R)-6,9-dihydroxydeca-2,4-dienoic acid.

Molecular Properties

Compound Name(2Z,4E,6R,9R)-6,9-dihydroxydeca-2,4-dienoic acid
PubChem CID139589661
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name(2Z,4E,6R,9R)-6,9-dihydroxydeca-2,4-dienoic acid
SMILESC[C@@H](O)CC[C@@H](O)/C=C/C=C\C(=O)O
InChIInChI=1S/C10H16O4/c1-8(11)6-7-9(12)4-2-3-5-10(13)14/h2-5,8-9,11-12H,6-7H2,1H3,(H,13,14)/b4-2+,5-3-/t8-,9+/m1/s1
InChIKeyQMMVXQIBLWLVGD-DKWSLFAKSA-N
XLogP0.71
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2E,4Z,6E,8E,10Z,12E)-14-hydroxydocosa-2,4,6,8,10,12-hexaenoic acid
CID 70674061
carbon monoxide;iron;methyl (2E,4E,6S,9R)-6,9-dihydroxydeca-2,4-dienoate
CID 10959149
6,35-dihydroxypentatriaconta-2,4-dienoic acid
CID 138677863
(E,5R,8R)-5,8-dihydroxynon-3-en-2-one
CID 10866796
(E,4S,7R)-7-[(E,4S,7R)-4,7-dihydroxyoct-2-enoyl]oxy-4-hydroxyoct-2-enoic acid
CID 132969610
acetic acid;hexane-2,5-diol
CID 71365730
(8E)-7,13,15,23-tetrahydroxytetracosa-2,4,8,10,16,18-hexaenoic acid
CID 172701312
(2E,4E,6Z,8E,10E,12E)-7,14-dihydroxydocosa-2,4,6,8,10,12-hexaenoic acid
CID 87235348
(2E,4E)-hexa-2,4-dienoic acid;propane-1,2-diol
CID 158193254
6-methyltrideca-2,4-dienedioic acid
CID 175056311
(2E,4E,9E,11E,13S)-13-hydroxytetradeca-2,4,9,11-tetraenoic acid
CID 12988297
hexa-2,4-dienoic acid;propan-2-ol
CID 174930282

Frequently Asked Questions

What is the IUPAC name of (2Z,4E,6R,9R)-6,9-dihydroxydeca-2,4-dienoic acid?
The IUPAC name of (2Z,4E,6R,9R)-6,9-dihydroxydeca-2,4-dienoic acid (CID 139589661) is (2Z,4E,6R,9R)-6,9-dihydroxydeca-2,4-dienoic acid.
What is the SMILES notation for (2Z,4E,6R,9R)-6,9-dihydroxydeca-2,4-dienoic acid?
The canonical SMILES for (2Z,4E,6R,9R)-6,9-dihydroxydeca-2,4-dienoic acid is C[C@@H](O)CC[C@@H](O)/C=C/C=C\C(=O)O.
What is the InChIKey of (2Z,4E,6R,9R)-6,9-dihydroxydeca-2,4-dienoic acid?
The InChIKey is QMMVXQIBLWLVGD-DKWSLFAKSA-N. The full InChI is InChI=1S/C10H16O4/c1-8(11)6-7-9(12)4-2-3-5-10(13)14/h2-5,8-9,11-12H,6-7H2,1H3,(H,13,14)/b4-2+,5-3-/t8-,9+/m1/s1.
What are the key properties of (2Z,4E,6R,9R)-6,9-dihydroxydeca-2,4-dienoic acid?
(2Z,4E,6R,9R)-6,9-dihydroxydeca-2,4-dienoic acid has a molecular weight of 200.23 g/mol, XLogP of 0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,6R,9R)-6,9-dihydroxydeca-2,4-dienoic acid is sourced from PubChem (CID 139589661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).