(2E,4E,6S,7R)-7-hydroxy-6-methylnona-2,4-dienoic acid

C10H16O3 — CID 14082280

IUPAC(2E,4E,6S,7R)-7-hydroxy-6-methylnona-2,4-dienoic acid
SMILESCC[C@@H](O)[C@@H](C)/C=C/C=C/C(=O)O
InChIInChI=1S/C10H16O3/c1-3-9(11)8(2)6-4-5-7-10(12)13/h4-9,11H,3H2,1-2H3,(H,12,13)/b6-4+,7-5+/t8-,9+/m0/s1
InChIKeyGAGPGLNKJBDMHP-ZWAIYACTSA-N
MW184.24 g/mol
LogP1.59
Rot. Bonds5

About (2E,4E,6S,7R)-7-hydroxy-6-methylnona-2,4-dienoic acid

(2E,4E,6S,7R)-7-hydroxy-6-methylnona-2,4-dienoic acid (PubChem CID 14082280) has the molecular formula C10H16O3 and a molecular weight of 184.24 g/mol. Its IUPAC name is (2E,4E,6S,7R)-7-hydroxy-6-methylnona-2,4-dienoic acid.

Molecular Properties

Compound Name(2E,4E,6S,7R)-7-hydroxy-6-methylnona-2,4-dienoic acid
PubChem CID14082280
Molecular FormulaC10H16O3
Molecular Weight184.24 g/mol
Exact Mass184.11
IUPAC Name(2E,4E,6S,7R)-7-hydroxy-6-methylnona-2,4-dienoic acid
SMILESCC[C@@H](O)[C@@H](C)/C=C/C=C/C(=O)O
InChIInChI=1S/C10H16O3/c1-3-9(11)8(2)6-4-5-7-10(12)13/h4-9,11H,3H2,1-2H3,(H,12,13)/b6-4+,7-5+/t8-,9+/m0/s1
InChIKeyGAGPGLNKJBDMHP-ZWAIYACTSA-N
XLogP1.59
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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,6S,7R)-7-hydroxy-6-methylnona-2,4-dienoic acid?
The IUPAC name of (2E,4E,6S,7R)-7-hydroxy-6-methylnona-2,4-dienoic acid (CID 14082280) is (2E,4E,6S,7R)-7-hydroxy-6-methylnona-2,4-dienoic acid.
What is the SMILES notation for (2E,4E,6S,7R)-7-hydroxy-6-methylnona-2,4-dienoic acid?
The canonical SMILES for (2E,4E,6S,7R)-7-hydroxy-6-methylnona-2,4-dienoic acid is CC[C@@H](O)[C@@H](C)/C=C/C=C/C(=O)O.
What is the InChIKey of (2E,4E,6S,7R)-7-hydroxy-6-methylnona-2,4-dienoic acid?
The InChIKey is GAGPGLNKJBDMHP-ZWAIYACTSA-N. The full InChI is InChI=1S/C10H16O3/c1-3-9(11)8(2)6-4-5-7-10(12)13/h4-9,11H,3H2,1-2H3,(H,12,13)/b6-4+,7-5+/t8-,9+/m0/s1.
What are the key properties of (2E,4E,6S,7R)-7-hydroxy-6-methylnona-2,4-dienoic acid?
(2E,4E,6S,7R)-7-hydroxy-6-methylnona-2,4-dienoic acid has a molecular weight of 184.24 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6S,7R)-7-hydroxy-6-methylnona-2,4-dienoic acid is sourced from PubChem (CID 14082280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).