2,3-dihydroxypropyl decanoate;prop-1-ene

C16H32O4 — CID 155355395

IUPAC2,3-dihydroxypropyl decanoate;prop-1-ene
SMILESC=CC.CCCCCCCCCC(=O)OCC(O)CO
InChIInChI=1S/C13H26O4.C3H6/c1-2-3-4-5-6-7-8-9-13(16)17-11-12(15)10-14;1-3-2/h12,14-15H,2-11H2,1H3;3H,1H2,2H3
InChIKeySJFLYOSAGFXNNA-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.22
Rot. Bonds11

About 2,3-dihydroxypropyl decanoate;prop-1-ene

2,3-dihydroxypropyl decanoate;prop-1-ene (PubChem CID 155355395) has the molecular formula C16H32O4 and a molecular weight of 288.43 g/mol. Its IUPAC name is 2,3-dihydroxypropyl decanoate;prop-1-ene.

Molecular Properties

Compound Name2,3-dihydroxypropyl decanoate;prop-1-ene
PubChem CID155355395
Molecular FormulaC16H32O4
Molecular Weight288.43 g/mol
Exact Mass288.23
IUPAC Name2,3-dihydroxypropyl decanoate;prop-1-ene
SMILESC=CC.CCCCCCCCCC(=O)OCC(O)CO
InChIInChI=1S/C13H26O4.C3H6/c1-2-3-4-5-6-7-8-9-13(16)17-11-12(15)10-14;1-3-2/h12,14-15H,2-11H2,1H3;3H,1H2,2H3
InChIKeySJFLYOSAGFXNNA-UHFFFAOYSA-N
XLogP3.22
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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
[(2R)-2,3-dihydroxypropyl] octadec-9-enoate
CID 54294271
[(2S)-2,3-dihydroxypropyl] (Z)-octadec-11-enoate
CID 53480977

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropyl decanoate;prop-1-ene?
The IUPAC name of 2,3-dihydroxypropyl decanoate;prop-1-ene (CID 155355395) is 2,3-dihydroxypropyl decanoate;prop-1-ene.
What is the SMILES notation for 2,3-dihydroxypropyl decanoate;prop-1-ene?
The canonical SMILES for 2,3-dihydroxypropyl decanoate;prop-1-ene is C=CC.CCCCCCCCCC(=O)OCC(O)CO.
What is the InChIKey of 2,3-dihydroxypropyl decanoate;prop-1-ene?
The InChIKey is SJFLYOSAGFXNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O4.C3H6/c1-2-3-4-5-6-7-8-9-13(16)17-11-12(15)10-14;1-3-2/h12,14-15H,2-11H2,1H3;3H,1H2,2H3.
What are the key properties of 2,3-dihydroxypropyl decanoate;prop-1-ene?
2,3-dihydroxypropyl decanoate;prop-1-ene has a molecular weight of 288.43 g/mol, XLogP of 3.22, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropyl decanoate;prop-1-ene is sourced from PubChem (CID 155355395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).