CID 87141410

C18H36O2Sb — CID 87141410

IUPAC—
SMILESCCCCCCCCCCCCCCCCCC(=O)O.[Sb]
InChIInChI=1S/C18H36O2.Sb/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);
InChIKeyXETLZUOMQNWFNP-UHFFFAOYSA-N
MW406.24 g/mol
LogP5.95
Rot. Bonds16

About CID 87141410

CID 87141410 (PubChem CID 87141410) has the molecular formula C18H36O2Sb and a molecular weight of 406.24 g/mol.

Molecular Properties

Compound NameCID 87141410
PubChem CID87141410
Molecular FormulaC18H36O2Sb
Molecular Weight406.24 g/mol
Exact Mass405.18
IUPAC Name—
SMILESCCCCCCCCCCCCCCCCCC(=O)O.[Sb]
InChIInChI=1S/C18H36O2.Sb/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);
InChIKeyXETLZUOMQNWFNP-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 ≤ 500406.24
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis(decanoic acid);bis(octanoic acid)
CID 160578094
decanoic acid;bis(nonanoic acid)
CID 159376136
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

Frequently Asked Questions

What is the IUPAC name of CID 87141410?
The IUPAC name of CID 87141410 (CID 87141410) is not available.
What is the SMILES notation for CID 87141410?
The canonical SMILES for CID 87141410 is CCCCCCCCCCCCCCCCCC(=O)O.[Sb].
What is the InChIKey of CID 87141410?
The InChIKey is XETLZUOMQNWFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2.Sb/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 87141410?
CID 87141410 has a molecular weight of 406.24 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 87141410 is sourced from PubChem (CID 87141410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).