6-hydroxy-2,6-dimethylocta-2,7-dienoic acid

C10H16O3 — CID 3015413

IUPAC6-hydroxy-2,6-dimethylocta-2,7-dienoic acid
SMILESC=CC(C)(O)CCC=C(C)C(=O)O
InChIInChI=1S/C10H16O3/c1-4-10(3,13)7-5-6-8(2)9(11)12/h4,6,13H,1,5,7H2,2-3H3,(H,11,12)
InChIKeySSKWMOQUUQAJGV-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.73
Rot. Bonds5

About 6-hydroxy-2,6-dimethylocta-2,7-dienoic acid

6-hydroxy-2,6-dimethylocta-2,7-dienoic acid (PubChem CID 3015413) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 6-hydroxy-2,6-dimethylocta-2,7-dienoic acid.

Molecular Properties

Compound Name6-hydroxy-2,6-dimethylocta-2,7-dienoic acid
PubChem CID3015413
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name6-hydroxy-2,6-dimethylocta-2,7-dienoic acid
SMILESC=CC(C)(O)CCC=C(C)C(=O)O
InChIInChI=1S/C10H16O3/c1-4-10(3,13)7-5-6-8(2)9(11)12/h4,6,13H,1,5,7H2,2-3H3,(H,11,12)
InChIKeySSKWMOQUUQAJGV-UHFFFAOYSA-N
XLogP1.73
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

(E)-2,4,6-trimethyloct-2-enoic acid
CID 24740399
(1Z,5E,9E)-5,8,8-trimethylcycloundeca-1,5,9-triene-1-carboxylic acid
CID 24011682
6-Hydroxy-2,6-dimethyl-2,7-Octadienoic acid
CID 6365350
(E)-2,4-Dimethyl-oct-2-enoic acid
CID 20842160
Menthiafolic acid, (S)-
CID 10845194
2-Ethyl-2-hexenoic acid
CID 54127227
trans-2-Methyl-5-isopropylhexa-2,5-dienoic acid
CID 5281995
cis-2-Methyl-5-isopropylhexa-2,5-dienoic acid
CID 5281996
(6E)-8-Oxolinalool
CID 15276226
2-methyl-2E-heptenoic acid
CID 5282651
9-Oxonerolidol
CID 73331190
10-Hydroxy-2,6,10-trimethyldodeca-2,6,11-trien-4-one
CID 71364441

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2,6-dimethylocta-2,7-dienoic acid?
The IUPAC name of 6-hydroxy-2,6-dimethylocta-2,7-dienoic acid (CID 3015413) is 6-hydroxy-2,6-dimethylocta-2,7-dienoic acid.
What is the SMILES notation for 6-hydroxy-2,6-dimethylocta-2,7-dienoic acid?
The canonical SMILES for 6-hydroxy-2,6-dimethylocta-2,7-dienoic acid is C=CC(C)(O)CCC=C(C)C(=O)O.
What is the InChIKey of 6-hydroxy-2,6-dimethylocta-2,7-dienoic acid?
The InChIKey is SSKWMOQUUQAJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-4-10(3,13)7-5-6-8(2)9(11)12/h4,6,13H,1,5,7H2,2-3H3,(H,11,12).
What are the key properties of 6-hydroxy-2,6-dimethylocta-2,7-dienoic acid?
6-hydroxy-2,6-dimethylocta-2,7-dienoic acid has a molecular weight of 184.23 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2,6-dimethylocta-2,7-dienoic acid is sourced from PubChem (CID 3015413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).