tetrakis(hexadecanoic acid);propane

C67H136O8 — CID 158436258

IUPACtetrakis(hexadecanoic acid);propane
SMILESCCC.CCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/4C16H32O2.C3H8/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-3-2/h4*2-15H2,1H3,(H,17,18);3H2,1-2H3
InChIKeyHCGKOTGQYIOHDV-UHFFFAOYSA-N
MW1069.82 g/mol
LogP23.63
Rot. Bonds56

About tetrakis(hexadecanoic acid);propane

tetrakis(hexadecanoic acid);propane (PubChem CID 158436258) has the molecular formula C67H136O8 and a molecular weight of 1069.82 g/mol. Its IUPAC name is tetrakis(hexadecanoic acid);propane.

Molecular Properties

Compound Nametetrakis(hexadecanoic acid);propane
PubChem CID158436258
Molecular FormulaC67H136O8
Molecular Weight1069.82 g/mol
Exact Mass1069.02
IUPAC Nametetrakis(hexadecanoic acid);propane
SMILESCCC.CCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/4C16H32O2.C3H8/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-3-2/h4*2-15H2,1H3,(H,17,18);3H2,1-2H3
InChIKeyHCGKOTGQYIOHDV-UHFFFAOYSA-N
XLogP23.63
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds56
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001069.82
LogP ≤ 523.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tetrakis(hexadecanoic acid);propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

decanoic acid;propane
CID 161171156
henicosane;tetracontanoic acid
CID 175935348
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024
decanoic acid;bis(dodecanoic acid)
CID 88765096
bis(hexanedioic acid);bis(tridecane)
CID 173306988
decanedioic acid;nonane
CID 25154161
decanoic acid
CID 158633075
decanoic acid;hexanedioic acid
CID 87189912
dodecanoic acid
CID 158187269
CID 131882435
CID 131882435

Frequently Asked Questions

What is the IUPAC name of tetrakis(hexadecanoic acid);propane?
The IUPAC name of tetrakis(hexadecanoic acid);propane (CID 158436258) is tetrakis(hexadecanoic acid);propane.
What is the SMILES notation for tetrakis(hexadecanoic acid);propane?
The canonical SMILES for tetrakis(hexadecanoic acid);propane is CCC.CCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of tetrakis(hexadecanoic acid);propane?
The InChIKey is HCGKOTGQYIOHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/4C16H32O2.C3H8/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-3-2/h4*2-15H2,1H3,(H,17,18);3H2,1-2H3.
What are the key properties of tetrakis(hexadecanoic acid);propane?
tetrakis(hexadecanoic acid);propane has a molecular weight of 1069.82 g/mol, XLogP of 23.63, 56 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(hexadecanoic acid);propane is sourced from PubChem (CID 158436258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).