(2E,4E,9R)-9-hydroxydeca-2,4-dienoic acid

C10H16O3 — CID 53387507

IUPAC(2E,4E,9R)-9-hydroxydeca-2,4-dienoic acid
SMILESC[C@@H](O)CCC/C=C/C=C/C(=O)O
InChIInChI=1S/C10H16O3/c1-9(11)7-5-3-2-4-6-8-10(12)13/h2,4,6,8-9,11H,3,5,7H2,1H3,(H,12,13)/b4-2+,8-6+/t9-/m1/s1
InChIKeyBUNUAXLBBKVLBE-WMCYJUNYSA-N
MW184.24 g/mol
LogP1.73
Rot. Bonds6

About (2E,4E,9R)-9-hydroxydeca-2,4-dienoic acid

(2E,4E,9R)-9-hydroxydeca-2,4-dienoic acid (PubChem CID 53387507) has the molecular formula C10H16O3 and a molecular weight of 184.24 g/mol. Its IUPAC name is (2E,4E,9R)-9-hydroxydeca-2,4-dienoic acid.

Molecular Properties

Compound Name(2E,4E,9R)-9-hydroxydeca-2,4-dienoic acid
PubChem CID53387507
Molecular FormulaC10H16O3
Molecular Weight184.24 g/mol
Exact Mass184.11
IUPAC Name(2E,4E,9R)-9-hydroxydeca-2,4-dienoic acid
SMILESC[C@@H](O)CCC/C=C/C=C/C(=O)O
InChIInChI=1S/C10H16O3/c1-9(11)7-5-3-2-4-6-8-10(12)13/h2,4,6,8-9,11H,3,5,7H2,1H3,(H,12,13)/b4-2+,8-6+/t9-/m1/s1
InChIKeyBUNUAXLBBKVLBE-WMCYJUNYSA-N
XLogP1.73
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E,9R)-9-hydroxydeca-2,4-dienoic acid?
The IUPAC name of (2E,4E,9R)-9-hydroxydeca-2,4-dienoic acid (CID 53387507) is (2E,4E,9R)-9-hydroxydeca-2,4-dienoic acid.
What is the SMILES notation for (2E,4E,9R)-9-hydroxydeca-2,4-dienoic acid?
The canonical SMILES for (2E,4E,9R)-9-hydroxydeca-2,4-dienoic acid is C[C@@H](O)CCC/C=C/C=C/C(=O)O.
What is the InChIKey of (2E,4E,9R)-9-hydroxydeca-2,4-dienoic acid?
The InChIKey is BUNUAXLBBKVLBE-WMCYJUNYSA-N. The full InChI is InChI=1S/C10H16O3/c1-9(11)7-5-3-2-4-6-8-10(12)13/h2,4,6,8-9,11H,3,5,7H2,1H3,(H,12,13)/b4-2+,8-6+/t9-/m1/s1.
What are the key properties of (2E,4E,9R)-9-hydroxydeca-2,4-dienoic acid?
(2E,4E,9R)-9-hydroxydeca-2,4-dienoic acid has a molecular weight of 184.24 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,9R)-9-hydroxydeca-2,4-dienoic acid is sourced from PubChem (CID 53387507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).