2-hydroxytridecyl acetate

C15H30O3 — CID 170716401

IUPAC2-hydroxytridecyl acetate
SMILESCCCCCCCCCCCC(O)COC(C)=O
InChIInChI=1S/C15H30O3/c1-3-4-5-6-7-8-9-10-11-12-15(17)13-18-14(2)16/h15,17H,3-13H2,1-2H3
InChIKeyPLIRKCFMCZUDTF-UHFFFAOYSA-N
MW258.40 g/mol
LogP3.83
Rot. Bonds12

About 2-hydroxytridecyl acetate

2-hydroxytridecyl acetate (PubChem CID 170716401) has the molecular formula C15H30O3 and a molecular weight of 258.40 g/mol. Its IUPAC name is 2-hydroxytridecyl acetate.

Molecular Properties

Compound Name2-hydroxytridecyl acetate
PubChem CID170716401
Molecular FormulaC15H30O3
Molecular Weight258.40 g/mol
Exact Mass258.22
IUPAC Name2-hydroxytridecyl acetate
SMILESCCCCCCCCCCCC(O)COC(C)=O
InChIInChI=1S/C15H30O3/c1-3-4-5-6-7-8-9-10-11-12-15(17)13-18-14(2)16/h15,17H,3-13H2,1-2H3
InChIKeyPLIRKCFMCZUDTF-UHFFFAOYSA-N
XLogP3.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

sodium;ethoxyethane;hydride;2-hydroxyhexadecyl acetate
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2-hydroxynonyl octanoate
CID 141214570
2-hydroxydodecyl hexadecanoate
CID 150178646
2-butyloctyl acetate
CID 87569476
2-butyltridecyl acetate
CID 163783668
[(2R)-2-hydroxytriacontyl] (12S)-12-hydroxyoctadecanoate
CID 99712599
(5-acetyloxy-4-hydroxypentyl) acetate
CID 74929582
2-propylundecyl acetate
CID 170849319
2-hydroxyhexyl icosanoate
CID 178043502
2-fluoroheptyl acetate
CID 24973893

Frequently Asked Questions

What is the IUPAC name of 2-hydroxytridecyl acetate?
The IUPAC name of 2-hydroxytridecyl acetate (CID 170716401) is 2-hydroxytridecyl acetate.
What is the SMILES notation for 2-hydroxytridecyl acetate?
The canonical SMILES for 2-hydroxytridecyl acetate is CCCCCCCCCCCC(O)COC(C)=O.
What is the InChIKey of 2-hydroxytridecyl acetate?
The InChIKey is PLIRKCFMCZUDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3/c1-3-4-5-6-7-8-9-10-11-12-15(17)13-18-14(2)16/h15,17H,3-13H2,1-2H3.
What are the key properties of 2-hydroxytridecyl acetate?
2-hydroxytridecyl acetate has a molecular weight of 258.40 g/mol, XLogP of 3.83, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxytridecyl acetate is sourced from PubChem (CID 170716401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).