CID 87060061

C18H34MgO2 — CID 87060061

IUPAC—
SMILESCCCCCCCC/C=C/CCCCCCCC(=O)O.[Mg]
InChIInChI=1S/C18H34O2.Mg/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);/b10-9+;
InChIKeyGMOVLOOFKBYJOP-RRABGKBLSA-N
MW306.77 g/mol
LogP5.73
Rot. Bonds15

About CID 87060061

CID 87060061 (PubChem CID 87060061) has the molecular formula C18H34MgO2 and a molecular weight of 306.77 g/mol.

Molecular Properties

Compound NameCID 87060061
PubChem CID87060061
Molecular FormulaC18H34MgO2
Molecular Weight306.77 g/mol
Exact Mass306.24
IUPAC Name—
SMILESCCCCCCCC/C=C/CCCCCCCC(=O)O.[Mg]
InChIInChI=1S/C18H34O2.Mg/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);/b10-9+;
InChIKeyGMOVLOOFKBYJOP-RRABGKBLSA-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 ≤ 500306.77
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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(Z)-(1613C)hexadec-9-enoic acid
CID 171379046
(E)-nonadec-7-enoic acid
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(7Z,15Z)-docosa-7,15-dienoic acid
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(23E,29E)-heptatriaconta-23,29-dienoic acid
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docosanoic acid;(Z)-icos-9-enoic acid
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Frequently Asked Questions

What is the IUPAC name of CID 87060061?
The IUPAC name of CID 87060061 (CID 87060061) is not available.
What is the SMILES notation for CID 87060061?
The canonical SMILES for CID 87060061 is CCCCCCCC/C=C/CCCCCCCC(=O)O.[Mg].
What is the InChIKey of CID 87060061?
The InChIKey is GMOVLOOFKBYJOP-RRABGKBLSA-N. The full InChI is InChI=1S/C18H34O2.Mg/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);/b10-9+;.
What are the key properties of CID 87060061?
CID 87060061 has a molecular weight of 306.77 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 87060061 is sourced from PubChem (CID 87060061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).