(3R,4E,6Z)-3-hydroxyhexadeca-4,6-dienoic acid

C16H28O3 — CID 162989367

IUPAC(3R,4E,6Z)-3-hydroxyhexadeca-4,6-dienoic acid
SMILESCCCCCCCCC/C=C\C=C\[C@H](O)CC(=O)O
InChIInChI=1S/C16H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(17)14-16(18)19/h10-13,15,17H,2-9,14H2,1H3,(H,18,19)/b11-10-,13-12+/t15-/m0/s1
InChIKeyRZWXPQVPYJYQHL-LIOJJOQBSA-N
MW268.40 g/mol
LogP4.08
Rot. Bonds12

About (3R,4E,6Z)-3-hydroxyhexadeca-4,6-dienoic acid

(3R,4E,6Z)-3-hydroxyhexadeca-4,6-dienoic acid (PubChem CID 162989367) has the molecular formula C16H28O3 and a molecular weight of 268.40 g/mol. Its IUPAC name is (3R,4E,6Z)-3-hydroxyhexadeca-4,6-dienoic acid.

Molecular Properties

Compound Name(3R,4E,6Z)-3-hydroxyhexadeca-4,6-dienoic acid
PubChem CID162989367
Molecular FormulaC16H28O3
Molecular Weight268.40 g/mol
Exact Mass268.20
IUPAC Name(3R,4E,6Z)-3-hydroxyhexadeca-4,6-dienoic acid
SMILESCCCCCCCCC/C=C\C=C\[C@H](O)CC(=O)O
InChIInChI=1S/C16H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(17)14-16(18)19/h10-13,15,17H,2-9,14H2,1H3,(H,18,19)/b11-10-,13-12+/t15-/m0/s1
InChIKeyRZWXPQVPYJYQHL-LIOJJOQBSA-N
XLogP4.08
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,4E,6Z)-3-hydroxyhexadeca-4,6-dienoic acid?
The IUPAC name of (3R,4E,6Z)-3-hydroxyhexadeca-4,6-dienoic acid (CID 162989367) is (3R,4E,6Z)-3-hydroxyhexadeca-4,6-dienoic acid.
What is the SMILES notation for (3R,4E,6Z)-3-hydroxyhexadeca-4,6-dienoic acid?
The canonical SMILES for (3R,4E,6Z)-3-hydroxyhexadeca-4,6-dienoic acid is CCCCCCCCC/C=C\C=C\[C@H](O)CC(=O)O.
What is the InChIKey of (3R,4E,6Z)-3-hydroxyhexadeca-4,6-dienoic acid?
The InChIKey is RZWXPQVPYJYQHL-LIOJJOQBSA-N. The full InChI is InChI=1S/C16H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(17)14-16(18)19/h10-13,15,17H,2-9,14H2,1H3,(H,18,19)/b11-10-,13-12+/t15-/m0/s1.
What are the key properties of (3R,4E,6Z)-3-hydroxyhexadeca-4,6-dienoic acid?
(3R,4E,6Z)-3-hydroxyhexadeca-4,6-dienoic acid has a molecular weight of 268.40 g/mol, XLogP of 4.08, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4E,6Z)-3-hydroxyhexadeca-4,6-dienoic acid is sourced from PubChem (CID 162989367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).