3,9-dihydroxy-2-methyldecanoic acid

C11H22O4 — CID 18709867

IUPAC3,9-dihydroxy-2-methyldecanoic acid
SMILESCC(O)CCCCCC(O)C(C)C(=O)O
InChIInChI=1S/C11H22O4/c1-8(12)6-4-3-5-7-10(13)9(2)11(14)15/h8-10,12-13H,3-7H2,1-2H3,(H,14,15)
InChIKeyIXDHUGOCJDDKMU-UHFFFAOYSA-N
MW218.29 g/mol
LogP1.40
Rot. Bonds8

About 3,9-dihydroxy-2-methyldecanoic acid

3,9-dihydroxy-2-methyldecanoic acid (PubChem CID 18709867) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is 3,9-dihydroxy-2-methyldecanoic acid.

Molecular Properties

Compound Name3,9-dihydroxy-2-methyldecanoic acid
PubChem CID18709867
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name3,9-dihydroxy-2-methyldecanoic acid
SMILESCC(O)CCCCCC(O)C(C)C(=O)O
InChIInChI=1S/C11H22O4/c1-8(12)6-4-3-5-7-10(13)9(2)11(14)15/h8-10,12-13H,3-7H2,1-2H3,(H,14,15)
InChIKeyIXDHUGOCJDDKMU-UHFFFAOYSA-N
XLogP1.40
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-3-hydroxy-2-methyloctadecanoic acid
CID 101438178
6-bromo-3-hydroxy-2-methylhexanoic acid
CID 14637746
(2R,3R)-8,9-difluoro-3-hydroxy-2-methylnonanoic acid
CID 138478690
(2S,3R)-3-hydroxy-2-methyloct-7-ynoic acid
CID 11789635
19-hydroxyicosanoic acid
CID 14535566
20-hydroxyhenicosanoic acid
CID 19591814
(2S)-5-chloro-3-hydroxy-2-methylpentanoic acid
CID 87872460
(2S,3R)-3-hydroxy-2-methyl-7-phenylheptanoic acid
CID 57188911
2,3,14,15-tetramethylhexadecanedioic acid
CID 101494126
acetic acid;tridecan-2-ol
CID 71339808
3-hydroxy-2-methyl-6-[methyl(octyl)amino]hexanoic acid;methanol
CID 170620165
(3R,15S)-3,15-dihydroxyhexadecanoic acid
CID 100641841

Frequently Asked Questions

What is the IUPAC name of 3,9-dihydroxy-2-methyldecanoic acid?
The IUPAC name of 3,9-dihydroxy-2-methyldecanoic acid (CID 18709867) is 3,9-dihydroxy-2-methyldecanoic acid.
What is the SMILES notation for 3,9-dihydroxy-2-methyldecanoic acid?
The canonical SMILES for 3,9-dihydroxy-2-methyldecanoic acid is CC(O)CCCCCC(O)C(C)C(=O)O.
What is the InChIKey of 3,9-dihydroxy-2-methyldecanoic acid?
The InChIKey is IXDHUGOCJDDKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4/c1-8(12)6-4-3-5-7-10(13)9(2)11(14)15/h8-10,12-13H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 3,9-dihydroxy-2-methyldecanoic acid?
3,9-dihydroxy-2-methyldecanoic acid has a molecular weight of 218.29 g/mol, XLogP of 1.40, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-dihydroxy-2-methyldecanoic acid is sourced from PubChem (CID 18709867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).