6-hydroxy-5-methyl-2-methylideneoctanoic acid

C10H18O3 — CID 57135378

IUPAC6-hydroxy-5-methyl-2-methylideneoctanoic acid
SMILESC=C(CCC(C)C(O)CC)C(=O)O
InChIInChI=1S/C10H18O3/c1-4-9(11)7(2)5-6-8(3)10(12)13/h7,9,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyYFKXNJFQBTVTJC-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.81
Rot. Bonds6

About 6-hydroxy-5-methyl-2-methylideneoctanoic acid

6-hydroxy-5-methyl-2-methylideneoctanoic acid (PubChem CID 57135378) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 6-hydroxy-5-methyl-2-methylideneoctanoic acid.

Molecular Properties

Compound Name6-hydroxy-5-methyl-2-methylideneoctanoic acid
PubChem CID57135378
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name6-hydroxy-5-methyl-2-methylideneoctanoic acid
SMILESC=C(CCC(C)C(O)CC)C(=O)O
InChIInChI=1S/C10H18O3/c1-4-9(11)7(2)5-6-8(3)10(12)13/h7,9,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyYFKXNJFQBTVTJC-UHFFFAOYSA-N
XLogP1.81
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5,6-dimethyl-2-methylideneheptanoic acid
CID 87749992
6-methyl-2-methylideneoctanoic acid
CID 54361308
5,5-difluoro-2-methylidenepentanoic acid
CID 23143942
5-methoxy-2-methylideneheptanoic acid
CID 23448523
(7R)-7-hydroxy-2-methylideneoctanoic acid
CID 158070673
8-hydroxy-2-methylidenenonanoic acid
CID 54254175
(4R)-4-methylheptan-3-ol
CID 12799251
6-methyl-2-methylidenenonanoic acid
CID 54193613
2-methylidenepentanoic acid;hydrate
CID 88770361
5-hexyl-2-methylidenetridecanoic acid
CID 88921058
(3R,4R)-6-amino-4-methylhexan-3-ol
CID 96637634
2-methylidenehexanoic acid;zinc
CID 174824467

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-methyl-2-methylideneoctanoic acid?
The IUPAC name of 6-hydroxy-5-methyl-2-methylideneoctanoic acid (CID 57135378) is 6-hydroxy-5-methyl-2-methylideneoctanoic acid.
What is the SMILES notation for 6-hydroxy-5-methyl-2-methylideneoctanoic acid?
The canonical SMILES for 6-hydroxy-5-methyl-2-methylideneoctanoic acid is C=C(CCC(C)C(O)CC)C(=O)O.
What is the InChIKey of 6-hydroxy-5-methyl-2-methylideneoctanoic acid?
The InChIKey is YFKXNJFQBTVTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-4-9(11)7(2)5-6-8(3)10(12)13/h7,9,11H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 6-hydroxy-5-methyl-2-methylideneoctanoic acid?
6-hydroxy-5-methyl-2-methylideneoctanoic acid has a molecular weight of 186.25 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-methyl-2-methylideneoctanoic acid is sourced from PubChem (CID 57135378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).