CID 173344476

C18H34O2Sb — CID 173344476

IUPAC—
SMILESCCCCCCCCC=CCCCCCCCC(=O)O.[Sb]
InChIInChI=1S/C18H34O2.Sb/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h9-10H,2-8,11-17H2,1H3,(H,19,20);
InChIKeyIOAFWUBJMHHKGJ-UHFFFAOYSA-N
MW404.23 g/mol
LogP5.73
Rot. Bonds15

About CID 173344476

CID 173344476 (PubChem CID 173344476) has the molecular formula C18H34O2Sb and a molecular weight of 404.23 g/mol.

Molecular Properties

Compound NameCID 173344476
PubChem CID173344476
Molecular FormulaC18H34O2Sb
Molecular Weight404.23 g/mol
Exact Mass403.16
IUPAC Name—
SMILESCCCCCCCCC=CCCCCCCCC(=O)O.[Sb]
InChIInChI=1S/C18H34O2.Sb/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h9-10H,2-8,11-17H2,1H3,(H,19,20);
InChIKeyIOAFWUBJMHHKGJ-UHFFFAOYSA-N
XLogP5.73
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.23
LogP ≤ 55.73
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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(E)-hexadec-8-enoic acid
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octadecane;octadec-9-enoic acid
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decanoic acid;octadec-9-enoic acid
CID 173212255
(Z)-pentadec-6-enoic acid
CID 13128939
(Z)-(1613C)hexadec-9-enoic acid
CID 171379046
(E)-nonadec-7-enoic acid
CID 5312514
(7Z,15Z)-docosa-7,15-dienoic acid
CID 52921832
(23E,29E)-heptatriaconta-23,29-dienoic acid
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docosanoic acid;(Z)-icos-9-enoic acid
CID 159601642

Frequently Asked Questions

What is the IUPAC name of CID 173344476?
The IUPAC name of CID 173344476 (CID 173344476) is not available.
What is the SMILES notation for CID 173344476?
The canonical SMILES for CID 173344476 is CCCCCCCCC=CCCCCCCCC(=O)O.[Sb].
What is the InChIKey of CID 173344476?
The InChIKey is IOAFWUBJMHHKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2.Sb/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h9-10H,2-8,11-17H2,1H3,(H,19,20);.
What are the key properties of CID 173344476?
CID 173344476 has a molecular weight of 404.23 g/mol, XLogP of 5.73, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173344476 is sourced from PubChem (CID 173344476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).