2-(2-hydroxypropoxy)propyl octanoate

C14H28O4 — CID 22496683

IUPAC2-(2-hydroxypropoxy)propyl octanoate
SMILESCCCCCCCC(=O)OCC(C)OCC(C)O
InChIInChI=1S/C14H28O4/c1-4-5-6-7-8-9-14(16)18-11-13(3)17-10-12(2)15/h12-13,15H,4-11H2,1-3H3
InChIKeyUILFOKGTTZJKMJ-UHFFFAOYSA-N
MW260.37 g/mol
LogP2.68
Rot. Bonds11

About 2-(2-hydroxypropoxy)propyl octanoate

2-(2-hydroxypropoxy)propyl octanoate (PubChem CID 22496683) has the molecular formula C14H28O4 and a molecular weight of 260.37 g/mol. Its IUPAC name is 2-(2-hydroxypropoxy)propyl octanoate.

Molecular Properties

Compound Name2-(2-hydroxypropoxy)propyl octanoate
PubChem CID22496683
Molecular FormulaC14H28O4
Molecular Weight260.37 g/mol
Exact Mass260.20
IUPAC Name2-(2-hydroxypropoxy)propyl octanoate
SMILESCCCCCCCC(=O)OCC(C)OCC(C)O
InChIInChI=1S/C14H28O4/c1-4-5-6-7-8-9-14(16)18-11-13(3)17-10-12(2)15/h12-13,15H,4-11H2,1-3H3
InChIKeyUILFOKGTTZJKMJ-UHFFFAOYSA-N
XLogP2.68
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxypropyl tricosanoate
CID 102118698
[(2R)-2-hydroxypropyl] dodecanoate
CID 73416019
2-(2-butoxypropoxy)propyl octadecanoate
CID 87698050
2-tetradecoxypropyl tetradecanoate
CID 170841381
2-dodecanoyloxypropyl pentadecanoate
CID 74829220
[(2R)-2-octanoyloxypropyl] octanoate
CID 73416129
[(2R)-2-tetradecanoyloxypropyl] tetradecanoate
CID 99119157
2-nonadecanoyloxypropyl nonadecanoate
CID 13161520
2-pentadecanoyloxypropyl pentadecanoate
CID 13161518
propane-1,2-diol;1-tetradecanoyloxypropan-2-yl hexadecanoate
CID 87586362
2-(2-ethoxypropoxy)propyl pentanoate
CID 87425057
hexyl dodecanoate;2-(2-hydroxypropoxy)propan-1-ol;nonanoic acid
CID 159387436

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropoxy)propyl octanoate?
The IUPAC name of 2-(2-hydroxypropoxy)propyl octanoate (CID 22496683) is 2-(2-hydroxypropoxy)propyl octanoate.
What is the SMILES notation for 2-(2-hydroxypropoxy)propyl octanoate?
The canonical SMILES for 2-(2-hydroxypropoxy)propyl octanoate is CCCCCCCC(=O)OCC(C)OCC(C)O.
What is the InChIKey of 2-(2-hydroxypropoxy)propyl octanoate?
The InChIKey is UILFOKGTTZJKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O4/c1-4-5-6-7-8-9-14(16)18-11-13(3)17-10-12(2)15/h12-13,15H,4-11H2,1-3H3.
What are the key properties of 2-(2-hydroxypropoxy)propyl octanoate?
2-(2-hydroxypropoxy)propyl octanoate has a molecular weight of 260.37 g/mol, XLogP of 2.68, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropoxy)propyl octanoate is sourced from PubChem (CID 22496683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).