(2E,6S)-6-hydroxy-2-(hydroxymethyl)-6-methylocta-2,7-dienoic acid

C10H16O4 — CID 162979508

IUPAC(2E,6S)-6-hydroxy-2-(hydroxymethyl)-6-methylocta-2,7-dienoic acid
SMILESC=C[C@@](C)(O)CC/C=C(\CO)C(=O)O
InChIInChI=1S/C10H16O4/c1-3-10(2,14)6-4-5-8(7-11)9(12)13/h3,5,11,14H,1,4,6-7H2,2H3,(H,12,13)/b8-5+/t10-/m1/s1
InChIKeyAFIOEQLZPSGSDD-VHODGJRUSA-N
MW200.23 g/mol
LogP0.71
Rot. Bonds6

About (2E,6S)-6-hydroxy-2-(hydroxymethyl)-6-methylocta-2,7-dienoic acid

(2E,6S)-6-hydroxy-2-(hydroxymethyl)-6-methylocta-2,7-dienoic acid (PubChem CID 162979508) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is (2E,6S)-6-hydroxy-2-(hydroxymethyl)-6-methylocta-2,7-dienoic acid.

Molecular Properties

Compound Name(2E,6S)-6-hydroxy-2-(hydroxymethyl)-6-methylocta-2,7-dienoic acid
PubChem CID162979508
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name(2E,6S)-6-hydroxy-2-(hydroxymethyl)-6-methylocta-2,7-dienoic acid
SMILESC=C[C@@](C)(O)CC/C=C(\CO)C(=O)O
InChIInChI=1S/C10H16O4/c1-3-10(2,14)6-4-5-8(7-11)9(12)13/h3,5,11,14H,1,4,6-7H2,2H3,(H,12,13)/b8-5+/t10-/m1/s1
InChIKeyAFIOEQLZPSGSDD-VHODGJRUSA-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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

6-Hydroxy-2,6-dimethyl-2,7-Octadienoic acid
CID 6365350
Menthiafolic acid, (S)-
CID 10845194
Striatisporin A
CID 11357243
6-Hydroxy-2,6-dimethylocta-2,7-dienoic acid
CID 3015413
methyl (2E,6S)-6-hydroxy-2,6-dimethylocta-2,7-dienoate
CID 162922115
(2E,6R)-6-butoxy-2-(hydroxymethyl)-6-methylocta-2,7-dienoic acid
CID 163010939
Ethyl (1-hydroxy-3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-yl)acetate
CID 326863
(2E)-4-hydroxy-4,8-dimethylnona-2,7-dienoic acid
CID 15941345
methyl (2E,6R)-6-hydroxy-2-(hydroxymethyl)-6-methylocta-2,7-dienoate
CID 10512806
(2E,6R)-6-Hydroxy-2,6-dimethyl-2,7-octadienoic acid
CID 10631344
5,6-Dihydroxy-2,6-dimethylhept-2-enoic acid
CID 176472615
Methyl (E)-6-hydroxy-2,6-dimethylocta-2,7-dienoate
CID 14241030

Frequently Asked Questions

What is the IUPAC name of (2E,6S)-6-hydroxy-2-(hydroxymethyl)-6-methylocta-2,7-dienoic acid?
The IUPAC name of (2E,6S)-6-hydroxy-2-(hydroxymethyl)-6-methylocta-2,7-dienoic acid (CID 162979508) is (2E,6S)-6-hydroxy-2-(hydroxymethyl)-6-methylocta-2,7-dienoic acid.
What is the SMILES notation for (2E,6S)-6-hydroxy-2-(hydroxymethyl)-6-methylocta-2,7-dienoic acid?
The canonical SMILES for (2E,6S)-6-hydroxy-2-(hydroxymethyl)-6-methylocta-2,7-dienoic acid is C=C[C@@](C)(O)CC/C=C(\CO)C(=O)O.
What is the InChIKey of (2E,6S)-6-hydroxy-2-(hydroxymethyl)-6-methylocta-2,7-dienoic acid?
The InChIKey is AFIOEQLZPSGSDD-VHODGJRUSA-N. The full InChI is InChI=1S/C10H16O4/c1-3-10(2,14)6-4-5-8(7-11)9(12)13/h3,5,11,14H,1,4,6-7H2,2H3,(H,12,13)/b8-5+/t10-/m1/s1.
What are the key properties of (2E,6S)-6-hydroxy-2-(hydroxymethyl)-6-methylocta-2,7-dienoic acid?
(2E,6S)-6-hydroxy-2-(hydroxymethyl)-6-methylocta-2,7-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 (2E,6S)-6-hydroxy-2-(hydroxymethyl)-6-methylocta-2,7-dienoic acid is sourced from PubChem (CID 162979508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).