CID 87290377

C20H32O2Pb — CID 87290377

IUPAC—
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O.[Pb]
InChIInChI=1S/C20H32O2.Pb/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22);/b7-6-,10-9-,13-12-,16-15-;
InChIKeyGUKHEKUCKSOTNJ-XVSDJDOKSA-N
MW511.67 g/mol
LogP5.84
Rot. Bonds14

About CID 87290377

CID 87290377 (PubChem CID 87290377) has the molecular formula C20H32O2Pb and a molecular weight of 511.67 g/mol.

Molecular Properties

Compound NameCID 87290377
PubChem CID87290377
Molecular FormulaC20H32O2Pb
Molecular Weight511.67 g/mol
Exact Mass512.22
IUPAC Name—
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O.[Pb]
InChIInChI=1S/C20H32O2.Pb/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22);/b7-6-,10-9-,13-12-,16-15-;
InChIKeyGUKHEKUCKSOTNJ-XVSDJDOKSA-N
XLogP5.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.67
LogP ≤ 55.84
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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hydrogen peroxide;icosa-5,8,11,14-tetraenoic acid
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(5Z,8E,11E,14Z)-icosa-5,8,11,14-tetraenoic acid
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(5Z,8Z,11Z,14Z)-(1113C)icosa-5,8,11,14-tetraenoic acid
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hydrogen peroxide;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid
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(5E,8E,14E)-icosa-5,8,14-trienoic acid
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(8Z,11Z,14Z,17Z,20Z)-hexacosa-8,11,14,17,20-pentaenoic acid
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tetracosa-9,12,15,18-tetraenoic acid
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(9E,12E)-(113C)octadeca-9,12-dienoic acid
CID 171042521
butanedioic acid;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid
CID 161044709

Frequently Asked Questions

What is the IUPAC name of CID 87290377?
The IUPAC name of CID 87290377 (CID 87290377) is not available.
What is the SMILES notation for CID 87290377?
The canonical SMILES for CID 87290377 is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O.[Pb].
What is the InChIKey of CID 87290377?
The InChIKey is GUKHEKUCKSOTNJ-XVSDJDOKSA-N. The full InChI is InChI=1S/C20H32O2.Pb/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22);/b7-6-,10-9-,13-12-,16-15-;.
What are the key properties of CID 87290377?
CID 87290377 has a molecular weight of 511.67 g/mol, XLogP of 5.84, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87290377 is sourced from PubChem (CID 87290377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).