8-hydroxy-6-methyl-2-methylideneoctanoic acid

C10H18O3 — CID 87276335

IUPAC8-hydroxy-6-methyl-2-methylideneoctanoic acid
SMILESC=C(CCCC(C)CCO)C(=O)O
InChIInChI=1S/C10H18O3/c1-8(6-7-11)4-3-5-9(2)10(12)13/h8,11H,2-7H2,1H3,(H,12,13)
InChIKeyYNUKXXSEDONNOR-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.82
Rot. Bonds7

About 8-hydroxy-6-methyl-2-methylideneoctanoic acid

8-hydroxy-6-methyl-2-methylideneoctanoic acid (PubChem CID 87276335) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 8-hydroxy-6-methyl-2-methylideneoctanoic acid.

Molecular Properties

Compound Name8-hydroxy-6-methyl-2-methylideneoctanoic acid
PubChem CID87276335
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name8-hydroxy-6-methyl-2-methylideneoctanoic acid
SMILESC=C(CCCC(C)CCO)C(=O)O
InChIInChI=1S/C10H18O3/c1-8(6-7-11)4-3-5-9(2)10(12)13/h8,11H,2-7H2,1H3,(H,12,13)
InChIKeyYNUKXXSEDONNOR-UHFFFAOYSA-N
XLogP1.82
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-hydroxy-6-methyl-2-methylideneoctanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-2-methylidenenonanoic acid
CID 54193613
6-methyl-2-methylideneoctanoic acid
CID 54361308
6,8-dihydroxy-2-methylideneoctanoic acid
CID 87304180
(7R)-7-hydroxy-2-methylideneoctanoic acid
CID 158070673
8-hydroxy-2-methylidenenonanoic acid
CID 54254175
2,11-dimethylidenedodecanedioic acid
CID 20542368
2-hydroxyethyl 6,10,14-trimethyl-2-methylidenepentadecanoate
CID 23286533
2-methylidenehexanoic acid;zinc
CID 174824467
5,6-dimethyl-2-methylideneheptanoic acid
CID 87749992
magnesium;hydride;2-methylideneheptanoic acid
CID 174921756
bis(hexanoic acid);3-methylpentane-1,5-diol
CID 87072933
ethane;2-methylidenehexanoic acid
CID 162072915

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-6-methyl-2-methylideneoctanoic acid?
The IUPAC name of 8-hydroxy-6-methyl-2-methylideneoctanoic acid (CID 87276335) is 8-hydroxy-6-methyl-2-methylideneoctanoic acid.
What is the SMILES notation for 8-hydroxy-6-methyl-2-methylideneoctanoic acid?
The canonical SMILES for 8-hydroxy-6-methyl-2-methylideneoctanoic acid is C=C(CCCC(C)CCO)C(=O)O.
What is the InChIKey of 8-hydroxy-6-methyl-2-methylideneoctanoic acid?
The InChIKey is YNUKXXSEDONNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-8(6-7-11)4-3-5-9(2)10(12)13/h8,11H,2-7H2,1H3,(H,12,13).
What are the key properties of 8-hydroxy-6-methyl-2-methylideneoctanoic acid?
8-hydroxy-6-methyl-2-methylideneoctanoic acid has a molecular weight of 186.25 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-6-methyl-2-methylideneoctanoic acid is sourced from PubChem (CID 87276335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).