2-(2-hydroxypropoxy)propan-1-ol;propan-2-yl tetradecanoate

C23H48O5 — CID 134585062

IUPAC2-(2-hydroxypropoxy)propan-1-ol;propan-2-yl tetradecanoate
SMILESCC(O)COC(C)CO.CCCCCCCCCCCCCC(=O)OC(C)C
InChIInChI=1S/C17H34O2.C6H14O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(18)19-16(2)3;1-5(8)4-9-6(2)3-7/h16H,4-15H2,1-3H3;5-8H,3-4H2,1-2H3
InChIKeyTWVSLTMZMVNGBV-UHFFFAOYSA-N
MW404.63 g/mol
LogP5.40
Rot. Bonds17

About 2-(2-hydroxypropoxy)propan-1-ol;propan-2-yl tetradecanoate

2-(2-hydroxypropoxy)propan-1-ol;propan-2-yl tetradecanoate (PubChem CID 134585062) has the molecular formula C23H48O5 and a molecular weight of 404.63 g/mol. Its IUPAC name is 2-(2-hydroxypropoxy)propan-1-ol;propan-2-yl tetradecanoate.

Molecular Properties

Compound Name2-(2-hydroxypropoxy)propan-1-ol;propan-2-yl tetradecanoate
PubChem CID134585062
Molecular FormulaC23H48O5
Molecular Weight404.63 g/mol
Exact Mass404.35
IUPAC Name2-(2-hydroxypropoxy)propan-1-ol;propan-2-yl tetradecanoate
SMILESCC(O)COC(C)CO.CCCCCCCCCCCCCC(=O)OC(C)C
InChIInChI=1S/C17H34O2.C6H14O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(18)19-16(2)3;1-5(8)4-9-6(2)3-7/h16H,4-15H2,1-3H3;5-8H,3-4H2,1-2H3
InChIKeyTWVSLTMZMVNGBV-UHFFFAOYSA-N
XLogP5.40
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.63
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxypropoxy)propan-1-ol;pentadecanoic acid
CID 121268166
propan-2-yl undecanoate
CID 3016538
hexyl dodecanoate;2-(2-hydroxypropoxy)propan-1-ol;nonanoic acid
CID 159387436
1-hydroxypropan-2-yl henicosanoate
CID 102118706
1-hydroxypropan-2-yl octadecanoate
CID 19818079
propan-2-yl dodecanoate;titanium(2+)
CID 18314327
2-(2-hydroxypropoxy)propyl octanoate
CID 22496683
dodecan-1-ol;propan-2-yl tetradecanoate
CID 88656625
propane-1,2-diol;1-tetradecanoyloxypropan-2-yl hexadecanoate
CID 87586362
methyl hexadecanoate;propan-2-yl hexadecanoate
CID 157210110
hexadecanoic acid;propan-2-yl octadecanoate
CID 88712147
2-(2-hydroxypropoxy)propan-1-ol;octadeca-9,12-dienoic acid
CID 160559541

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropoxy)propan-1-ol;propan-2-yl tetradecanoate?
The IUPAC name of 2-(2-hydroxypropoxy)propan-1-ol;propan-2-yl tetradecanoate (CID 134585062) is 2-(2-hydroxypropoxy)propan-1-ol;propan-2-yl tetradecanoate.
What is the SMILES notation for 2-(2-hydroxypropoxy)propan-1-ol;propan-2-yl tetradecanoate?
The canonical SMILES for 2-(2-hydroxypropoxy)propan-1-ol;propan-2-yl tetradecanoate is CC(O)COC(C)CO.CCCCCCCCCCCCCC(=O)OC(C)C.
What is the InChIKey of 2-(2-hydroxypropoxy)propan-1-ol;propan-2-yl tetradecanoate?
The InChIKey is TWVSLTMZMVNGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2.C6H14O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(18)19-16(2)3;1-5(8)4-9-6(2)3-7/h16H,4-15H2,1-3H3;5-8H,3-4H2,1-2H3.
What are the key properties of 2-(2-hydroxypropoxy)propan-1-ol;propan-2-yl tetradecanoate?
2-(2-hydroxypropoxy)propan-1-ol;propan-2-yl tetradecanoate has a molecular weight of 404.63 g/mol, XLogP of 5.40, 17 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropoxy)propan-1-ol;propan-2-yl tetradecanoate is sourced from PubChem (CID 134585062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).