ethene;hexadecanoic acid;propane-1,2,3-triol

C21H44O5 — CID 159875285

IUPACethene;hexadecanoic acid;propane-1,2,3-triol
SMILESC=C.CCCCCCCCCCCCCCCC(=O)O.OCC(O)CO
InChIInChI=1S/C16H32O2.C3H8O3.C2H4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;4-1-3(6)2-5;1-2/h2-15H2,1H3,(H,17,18);3-6H,1-2H2;1-2H2
InChIKeyNSVBIKICNDSCCL-UHFFFAOYSA-N
MW376.58 g/mol
LogP4.69
Rot. Bonds16

About ethene;hexadecanoic acid;propane-1,2,3-triol

ethene;hexadecanoic acid;propane-1,2,3-triol (PubChem CID 159875285) has the molecular formula C21H44O5 and a molecular weight of 376.58 g/mol. Its IUPAC name is ethene;hexadecanoic acid;propane-1,2,3-triol.

Molecular Properties

Compound Nameethene;hexadecanoic acid;propane-1,2,3-triol
PubChem CID159875285
Molecular FormulaC21H44O5
Molecular Weight376.58 g/mol
Exact Mass376.32
IUPAC Nameethene;hexadecanoic acid;propane-1,2,3-triol
SMILESC=C.CCCCCCCCCCCCCCCC(=O)O.OCC(O)CO
InChIInChI=1S/C16H32O2.C3H8O3.C2H4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;4-1-3(6)2-5;1-2/h2-15H2,1H3,(H,17,18);3-6H,1-2H2;1-2H2
InChIKeyNSVBIKICNDSCCL-UHFFFAOYSA-N
XLogP4.69
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.58
LogP ≤ 54.69
H-Bond Donors ≤ 54
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

propane-1,2,3-triol;tetradecanoic acid
CID 19606662
decanedioic acid;hexadecanoic acid;bis(propane-1,2,3-triol)
CID 175774423
docosanoic acid;hexakis(propane-1,2,3-triol)
CID 161031010
hexakis(propane-1,2,3-triol);tetrakis(tetradecanoic acid)
CID 161223190
nonakis(dodecanoic acid);heptakis(propane-1,2,3-triol)
CID 159219388
pentakis(octadecanoic acid);pentakis(propane-1,2,3-triol)
CID 161420599
dodecakis(octanoic acid);decakis(propane-1,2,3-triol)
CID 173131285
hexakis(dodecanoic acid);heptakis(propane-1,2,3-triol)
CID 160909633
tetrakis(decanoic acid);pentakis(propane-1,2,3-triol)
CID 159712204
tetrakis(dodecanoic acid);pentakis(propane-1,2,3-triol)
CID 162108815
decanoic acid;octanoic acid;decakis(propane-1,2,3-triol)
CID 173290043
docosanoic acid;tris(propane-1,2,3-triol)
CID 163939719

Frequently Asked Questions

What is the IUPAC name of ethene;hexadecanoic acid;propane-1,2,3-triol?
The IUPAC name of ethene;hexadecanoic acid;propane-1,2,3-triol (CID 159875285) is ethene;hexadecanoic acid;propane-1,2,3-triol.
What is the SMILES notation for ethene;hexadecanoic acid;propane-1,2,3-triol?
The canonical SMILES for ethene;hexadecanoic acid;propane-1,2,3-triol is C=C.CCCCCCCCCCCCCCCC(=O)O.OCC(O)CO.
What is the InChIKey of ethene;hexadecanoic acid;propane-1,2,3-triol?
The InChIKey is NSVBIKICNDSCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2.C3H8O3.C2H4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;4-1-3(6)2-5;1-2/h2-15H2,1H3,(H,17,18);3-6H,1-2H2;1-2H2.
What are the key properties of ethene;hexadecanoic acid;propane-1,2,3-triol?
ethene;hexadecanoic acid;propane-1,2,3-triol has a molecular weight of 376.58 g/mol, XLogP of 4.69, 16 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;hexadecanoic acid;propane-1,2,3-triol is sourced from PubChem (CID 159875285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).