CID 87059166

C18H36KO2 — CID 87059166

IUPAC—
SMILESCCCCCCCCCCCCCCCCCC(=O)O.[K]
InChIInChI=1S/C18H36O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);
InChIKeyNCBSCJZMOPNGSI-UHFFFAOYSA-N
MW323.58 g/mol
LogP5.95
Rot. Bonds16

About CID 87059166

CID 87059166 (PubChem CID 87059166) has the molecular formula C18H36KO2 and a molecular weight of 323.58 g/mol.

Molecular Properties

Compound NameCID 87059166
PubChem CID87059166
Molecular FormulaC18H36KO2
Molecular Weight323.58 g/mol
Exact Mass323.24
IUPAC Name—
SMILESCCCCCCCCCCCCCCCCCC(=O)O.[K]
InChIInChI=1S/C18H36O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);
InChIKeyNCBSCJZMOPNGSI-UHFFFAOYSA-N
XLogP5.95
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.58
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 131849704
CID 131849704
CID 87091593
CID 87091593
Potassium palmitate (U-13C16, 98%+)
CID 171042869
CID 158956860
CID 158956860
(813C)octadecanoic acid
CID 171379166
decanedioic acid;docosane
CID 158450687
octane;octanoic acid
CID 88924420
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521
henicosane;tetracontanoic acid
CID 175935348
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024
decanoic acid;bis(dodecanoic acid)
CID 88765096

Frequently Asked Questions

What is the IUPAC name of CID 87059166?
The IUPAC name of CID 87059166 (CID 87059166) is not available.
What is the SMILES notation for CID 87059166?
The canonical SMILES for CID 87059166 is CCCCCCCCCCCCCCCCCC(=O)O.[K].
What is the InChIKey of CID 87059166?
The InChIKey is NCBSCJZMOPNGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);.
What are the key properties of CID 87059166?
CID 87059166 has a molecular weight of 323.58 g/mol, XLogP of 5.95, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87059166 is sourced from PubChem (CID 87059166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).