2,3-dihydroxypropyl nonanoate;ethoxyethane

C16H34O5 — CID 87991117

IUPAC2,3-dihydroxypropyl nonanoate;ethoxyethane
SMILESCCCCCCCCC(=O)OCC(O)CO.CCOCC
InChIInChI=1S/C12H24O4.C4H10O/c1-2-3-4-5-6-7-8-12(15)16-10-11(14)9-13;1-3-5-4-2/h11,13-14H,2-10H2,1H3;3-4H2,1-2H3
InChIKeyFNTHUYMHOBOESW-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.68
Rot. Bonds12

About 2,3-dihydroxypropyl nonanoate;ethoxyethane

2,3-dihydroxypropyl nonanoate;ethoxyethane (PubChem CID 87991117) has the molecular formula C16H34O5 and a molecular weight of 306.44 g/mol. Its IUPAC name is 2,3-dihydroxypropyl nonanoate;ethoxyethane.

Molecular Properties

Compound Name2,3-dihydroxypropyl nonanoate;ethoxyethane
PubChem CID87991117
Molecular FormulaC16H34O5
Molecular Weight306.44 g/mol
Exact Mass306.24
IUPAC Name2,3-dihydroxypropyl nonanoate;ethoxyethane
SMILESCCCCCCCCC(=O)OCC(O)CO.CCOCC
InChIInChI=1S/C12H24O4.C4H10O/c1-2-3-4-5-6-7-8-12(15)16-10-11(14)9-13;1-3-5-4-2/h11,13-14H,2-10H2,1H3;3-4H2,1-2H3
InChIKeyFNTHUYMHOBOESW-UHFFFAOYSA-N
XLogP2.68
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.68
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

2,3-dihydroxypropyl tetracosanoate
CID 14542801
2,3-dihydroxypropyl octadecanoate
CID 159321215
[(2S)-2,3-dihydroxypropyl] nonanoate
CID 70789772
2,3-dihydroxypropyl hexadecanoate;2,3-dihydroxypropyl octadecanoate
CID 24698
2,3-dihydroxypropyl octadecanoate;zinc
CID 87251976
[(2R)-2,3-dihydroxypropyl] octanoate;ethane
CID 71627387
2,3-dihydroxypropyl dodecanoate;ethanol
CID 158629488
2,3-dihydroxypropyl octadecanoate;polane
CID 173093514
2,3-dihydroxypropyl octanoate;ethane-1,2-diol
CID 175177364
2,3-dihydroxypropyl octadecanoate;ethane-1,2-diol
CID 87139616
[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-hydroxypropyl] hexanoate
CID 169079692
decanoic acid;2,3-dihydroxypropyl hexanoate;octanoic acid
CID 87710407

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropyl nonanoate;ethoxyethane?
The IUPAC name of 2,3-dihydroxypropyl nonanoate;ethoxyethane (CID 87991117) is 2,3-dihydroxypropyl nonanoate;ethoxyethane.
What is the SMILES notation for 2,3-dihydroxypropyl nonanoate;ethoxyethane?
The canonical SMILES for 2,3-dihydroxypropyl nonanoate;ethoxyethane is CCCCCCCCC(=O)OCC(O)CO.CCOCC.
What is the InChIKey of 2,3-dihydroxypropyl nonanoate;ethoxyethane?
The InChIKey is FNTHUYMHOBOESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4.C4H10O/c1-2-3-4-5-6-7-8-12(15)16-10-11(14)9-13;1-3-5-4-2/h11,13-14H,2-10H2,1H3;3-4H2,1-2H3.
What are the key properties of 2,3-dihydroxypropyl nonanoate;ethoxyethane?
2,3-dihydroxypropyl nonanoate;ethoxyethane has a molecular weight of 306.44 g/mol, XLogP of 2.68, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropyl nonanoate;ethoxyethane is sourced from PubChem (CID 87991117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).