(3S)-3-(hydroxymethyl)decanoic acid

C11H22O3 — CID 88616770

IUPAC(3S)-3-(hydroxymethyl)decanoic acid
SMILESCCCCCCCC(CO)CC(=O)O
InChIInChI=1S/C11H22O3/c1-2-3-4-5-6-7-10(9-12)8-11(13)14/h10,12H,2-9H2,1H3,(H,13,14)
InChIKeyCAPSZKBHKCMTCV-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.43
Rot. Bonds9

About (3S)-3-(hydroxymethyl)decanoic acid

(3S)-3-(hydroxymethyl)decanoic acid (PubChem CID 88616770) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is (3S)-3-(hydroxymethyl)decanoic acid.

Molecular Properties

Compound Name(3S)-3-(hydroxymethyl)decanoic acid
PubChem CID88616770
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name(3S)-3-(hydroxymethyl)decanoic acid
SMILESCCCCCCCC(CO)CC(=O)O
InChIInChI=1S/C11H22O3/c1-2-3-4-5-6-7-10(9-12)8-11(13)14/h10,12H,2-9H2,1H3,(H,13,14)
InChIKeyCAPSZKBHKCMTCV-UHFFFAOYSA-N
XLogP2.43
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-heptylpentanedioic acid
CID 14574131
3-tetradecyloctadecanoic acid
CID 18954670
3-(2-hydroxyethyl)nonanoic acid
CID 87790478
3-ethylhexadecanoic acid
CID 14298660
2-heptylundecan-1-ol;hexadecanoic acid
CID 175092135
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;tris(3-octyltridecanoic acid)
CID 159954799
3-decylpentadecanoic acid;2,2-dimethylpropane-1,3-diol
CID 87784731
bis(3-ethyloctanoic acid);nickel
CID 176656697
3-ethyloctanoic acid;neodymium
CID 174650378
3-(3-aminopropyl)decanoic acid
CID 21259292
hexane-2,5-diol;3-hexylundecanoic acid
CID 87784320
3-decylpentadecanoic acid;2-(2-hydroxyethoxy)ethanol
CID 87784441

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(hydroxymethyl)decanoic acid?
The IUPAC name of (3S)-3-(hydroxymethyl)decanoic acid (CID 88616770) is (3S)-3-(hydroxymethyl)decanoic acid.
What is the SMILES notation for (3S)-3-(hydroxymethyl)decanoic acid?
The canonical SMILES for (3S)-3-(hydroxymethyl)decanoic acid is CCCCCCCC(CO)CC(=O)O.
What is the InChIKey of (3S)-3-(hydroxymethyl)decanoic acid?
The InChIKey is CAPSZKBHKCMTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-2-3-4-5-6-7-10(9-12)8-11(13)14/h10,12H,2-9H2,1H3,(H,13,14).
What are the key properties of (3S)-3-(hydroxymethyl)decanoic acid?
(3S)-3-(hydroxymethyl)decanoic acid has a molecular weight of 202.29 g/mol, XLogP of 2.43, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(hydroxymethyl)decanoic acid is sourced from PubChem (CID 88616770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).