6,8-dihydroxy-2-methylideneoctanoic acid

C9H16O4 — CID 87304180

IUPAC6,8-dihydroxy-2-methylideneoctanoic acid
SMILESC=C(CCCC(O)CCO)C(=O)O
InChIInChI=1S/C9H16O4/c1-7(9(12)13)3-2-4-8(11)5-6-10/h8,10-11H,1-6H2,(H,12,13)
InChIKeyDIIUKYPUHPCFDZ-UHFFFAOYSA-N
MW188.22 g/mol
LogP0.54
Rot. Bonds7

About 6,8-dihydroxy-2-methylideneoctanoic acid

6,8-dihydroxy-2-methylideneoctanoic acid (PubChem CID 87304180) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is 6,8-dihydroxy-2-methylideneoctanoic acid.

Molecular Properties

Compound Name6,8-dihydroxy-2-methylideneoctanoic acid
PubChem CID87304180
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name6,8-dihydroxy-2-methylideneoctanoic acid
SMILESC=C(CCCC(O)CCO)C(=O)O
InChIInChI=1S/C9H16O4/c1-7(9(12)13)3-2-4-8(11)5-6-10/h8,10-11H,1-6H2,(H,12,13)
InChIKeyDIIUKYPUHPCFDZ-UHFFFAOYSA-N
XLogP0.54
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,8-dihydroxy-2-methylideneoctanoic acid?
The IUPAC name of 6,8-dihydroxy-2-methylideneoctanoic acid (CID 87304180) is 6,8-dihydroxy-2-methylideneoctanoic acid.
What is the SMILES notation for 6,8-dihydroxy-2-methylideneoctanoic acid?
The canonical SMILES for 6,8-dihydroxy-2-methylideneoctanoic acid is C=C(CCCC(O)CCO)C(=O)O.
What is the InChIKey of 6,8-dihydroxy-2-methylideneoctanoic acid?
The InChIKey is DIIUKYPUHPCFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-7(9(12)13)3-2-4-8(11)5-6-10/h8,10-11H,1-6H2,(H,12,13).
What are the key properties of 6,8-dihydroxy-2-methylideneoctanoic acid?
6,8-dihydroxy-2-methylideneoctanoic acid has a molecular weight of 188.22 g/mol, XLogP of 0.54, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dihydroxy-2-methylideneoctanoic acid is sourced from PubChem (CID 87304180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).