CID 150102508

C36H58Sb — CID 150102508

IUPAC—
SMILESCCCCCCCCCCCCc1ccc([Sb]c2ccc(CCCCCCCCCCCC)cc2)cc1
InChIInChI=1S/2C18H29.Sb/c2*1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;/h2*13-14,16-17H,2-10,12,15H2,1H3;
InChIKeyDVNXTWJBYTYWHZ-UHFFFAOYSA-N
MW612.62 g/mol
LogP10.27
Rot. Bonds24

About CID 150102508

CID 150102508 (PubChem CID 150102508) has the molecular formula C36H58Sb and a molecular weight of 612.62 g/mol.

Molecular Properties

Compound NameCID 150102508
PubChem CID150102508
Molecular FormulaC36H58Sb
Molecular Weight612.62 g/mol
Exact Mass611.36
IUPAC Name—
SMILESCCCCCCCCCCCCc1ccc([Sb]c2ccc(CCCCCCCCCCCC)cc2)cc1
InChIInChI=1S/2C18H29.Sb/c2*1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;/h2*13-14,16-17H,2-10,12,15H2,1H3;
InChIKeyDVNXTWJBYTYWHZ-UHFFFAOYSA-N
XLogP10.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.62
LogP ≤ 510.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

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Frequently Asked Questions

What is the IUPAC name of CID 150102508?
The IUPAC name of CID 150102508 (CID 150102508) is not available.
What is the SMILES notation for CID 150102508?
The canonical SMILES for CID 150102508 is CCCCCCCCCCCCc1ccc([Sb]c2ccc(CCCCCCCCCCCC)cc2)cc1.
What is the InChIKey of CID 150102508?
The InChIKey is DVNXTWJBYTYWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H29.Sb/c2*1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;/h2*13-14,16-17H,2-10,12,15H2,1H3;.
What are the key properties of CID 150102508?
CID 150102508 has a molecular weight of 612.62 g/mol, XLogP of 10.27, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 150102508 is sourced from PubChem (CID 150102508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).