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

C10H16O3 — CID 19751831

IUPAC(4E)-2-hydroxydeca-4,9-dienoic acid
SMILESC=CCCC/C=C/CC(O)C(=O)O
InChIInChI=1S/C10H16O3/c1-2-3-4-5-6-7-8-9(11)10(12)13/h2,6-7,9,11H,1,3-5,8H2,(H,12,13)/b7-6+
InChIKeyKJJCCKXFWKMOQT-VOTSOKGWSA-N
MW184.24 g/mol
LogP1.73
Rot. Bonds7

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

(4E)-2-hydroxydeca-4,9-dienoic acid (PubChem CID 19751831) has the molecular formula C10H16O3 and a molecular weight of 184.24 g/mol. Its IUPAC name is (4E)-2-hydroxydeca-4,9-dienoic acid.

Molecular Properties

Compound Name(4E)-2-hydroxydeca-4,9-dienoic acid
PubChem CID19751831
Molecular FormulaC10H16O3
Molecular Weight184.24 g/mol
Exact Mass184.11
IUPAC Name(4E)-2-hydroxydeca-4,9-dienoic acid
SMILESC=CCCC/C=C/CC(O)C(=O)O
InChIInChI=1S/C10H16O3/c1-2-3-4-5-6-7-8-9(11)10(12)13/h2,6-7,9,11H,1,3-5,8H2,(H,12,13)/b7-6+
InChIKeyKJJCCKXFWKMOQT-VOTSOKGWSA-N
XLogP1.73
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4E)-2-hydroxydeca-4,9-dienoic acid?
The IUPAC name of (4E)-2-hydroxydeca-4,9-dienoic acid (CID 19751831) is (4E)-2-hydroxydeca-4,9-dienoic acid.
What is the SMILES notation for (4E)-2-hydroxydeca-4,9-dienoic acid?
The canonical SMILES for (4E)-2-hydroxydeca-4,9-dienoic acid is C=CCCC/C=C/CC(O)C(=O)O.
What is the InChIKey of (4E)-2-hydroxydeca-4,9-dienoic acid?
The InChIKey is KJJCCKXFWKMOQT-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H16O3/c1-2-3-4-5-6-7-8-9(11)10(12)13/h2,6-7,9,11H,1,3-5,8H2,(H,12,13)/b7-6+.
What are the key properties of (4E)-2-hydroxydeca-4,9-dienoic acid?
(4E)-2-hydroxydeca-4,9-dienoic acid has a molecular weight of 184.24 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-hydroxydeca-4,9-dienoic acid is sourced from PubChem (CID 19751831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).