6-hydroxytridecyl 2-hydroxyacetate

C15H30O4 — CID 121405219

IUPAC6-hydroxytridecyl 2-hydroxyacetate
SMILESCCCCCCCC(O)CCCCCOC(=O)CO
InChIInChI=1S/C15H30O4/c1-2-3-4-5-7-10-14(17)11-8-6-9-12-19-15(18)13-16/h14,16-17H,2-13H2,1H3
InChIKeyPLAUFGMMVUUKFV-UHFFFAOYSA-N
MW274.40 g/mol
LogP2.80
Rot. Bonds13

About 6-hydroxytridecyl 2-hydroxyacetate

6-hydroxytridecyl 2-hydroxyacetate (PubChem CID 121405219) has the molecular formula C15H30O4 and a molecular weight of 274.40 g/mol. Its IUPAC name is 6-hydroxytridecyl 2-hydroxyacetate.

Molecular Properties

Compound Name6-hydroxytridecyl 2-hydroxyacetate
PubChem CID121405219
Molecular FormulaC15H30O4
Molecular Weight274.40 g/mol
Exact Mass274.21
IUPAC Name6-hydroxytridecyl 2-hydroxyacetate
SMILESCCCCCCCC(O)CCCCCOC(=O)CO
InChIInChI=1S/C15H30O4/c1-2-3-4-5-7-10-14(17)11-8-6-9-12-19-15(18)13-16/h14,16-17H,2-13H2,1H3
InChIKeyPLAUFGMMVUUKFV-UHFFFAOYSA-N
XLogP2.80
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

hexacosyl 2-hydroxyacetate
CID 156789960
6-(10-hydroxyoctadecanoyloxy)hexyl 10-hydroxyoctadecanoate
CID 87579324
[(12R)-12-hydroxyoctadecyl] docosanoate
CID 98048529
dotriacontyl 12-hydroxyoctadecanoate
CID 139650763
octahexacontyl 12-hydroxyoctadecanoate
CID 177467118
12-hydroxyoctadecyl octadecanoate
CID 87534486
octadecyl 13-hydroxyoctadecanoate
CID 139650754
octadecyl 3-hydroxydocosanoate
CID 139650749
CID 87119570
CID 87119570
sodium;hydride;tetradecyl 2-hydroxyacetate
CID 174584352
octadecyl 3,7-dihydroxyheptanoate
CID 174306119
5-hydroxyoctacosyl 2-hydroxyoctadecanoate
CID 160811798

Frequently Asked Questions

What is the IUPAC name of 6-hydroxytridecyl 2-hydroxyacetate?
The IUPAC name of 6-hydroxytridecyl 2-hydroxyacetate (CID 121405219) is 6-hydroxytridecyl 2-hydroxyacetate.
What is the SMILES notation for 6-hydroxytridecyl 2-hydroxyacetate?
The canonical SMILES for 6-hydroxytridecyl 2-hydroxyacetate is CCCCCCCC(O)CCCCCOC(=O)CO.
What is the InChIKey of 6-hydroxytridecyl 2-hydroxyacetate?
The InChIKey is PLAUFGMMVUUKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O4/c1-2-3-4-5-7-10-14(17)11-8-6-9-12-19-15(18)13-16/h14,16-17H,2-13H2,1H3.
What are the key properties of 6-hydroxytridecyl 2-hydroxyacetate?
6-hydroxytridecyl 2-hydroxyacetate has a molecular weight of 274.40 g/mol, XLogP of 2.80, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxytridecyl 2-hydroxyacetate is sourced from PubChem (CID 121405219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).