CID 173449370

C36H75BCl — CID 173449370

IUPAC—
SMILESCCCCCCCCCCCCCCCCCC[B]CCCCCCCCCCCCCCCCCC.Cl
InChIInChI=1S/C36H74B.ClH/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h3-36H2,1-2H3;1H
InChIKeyJSKLGPSRSRQYGM-UHFFFAOYSA-N
MW554.26 g/mol
LogP14.47
Rot. Bonds34

About CID 173449370

CID 173449370 (PubChem CID 173449370) has the molecular formula C36H75BCl and a molecular weight of 554.26 g/mol.

Molecular Properties

Compound NameCID 173449370
PubChem CID173449370
Molecular FormulaC36H75BCl
Molecular Weight554.26 g/mol
Exact Mass553.57
IUPAC Name—
SMILESCCCCCCCCCCCCCCCCCC[B]CCCCCCCCCCCCCCCCCC.Cl
InChIInChI=1S/C36H74B.ClH/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h3-36H2,1-2H3;1H
InChIKeyJSKLGPSRSRQYGM-UHFFFAOYSA-N
XLogP14.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds34
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.26
LogP ≤ 514.47
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

CID 173449434
CID 173449434
Di-pentylborane
CID 13258648
icosane;tetrahydrochloride
CID 143212018
bis(heptane);hydrochloride
CID 160833718
nonadecane;hydrochloride
CID 172821128
pentacosane;hydrochloride
CID 172714496
methane;octane;dihydrochloride
CID 174397937
heptane;phosphane;trihydrochloride
CID 175501735
dodecane;phosphane;dihydrochloride
CID 173449681
azane;tritriacontane;hydrochloride
CID 174841743
heptane;silane;trihydrochloride
CID 173470147
bis(octane);silane;dihydrochloride
CID 173470119

Frequently Asked Questions

What is the IUPAC name of CID 173449370?
The IUPAC name of CID 173449370 (CID 173449370) is not available.
What is the SMILES notation for CID 173449370?
The canonical SMILES for CID 173449370 is CCCCCCCCCCCCCCCCCC[B]CCCCCCCCCCCCCCCCCC.Cl.
What is the InChIKey of CID 173449370?
The InChIKey is JSKLGPSRSRQYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H74B.ClH/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h3-36H2,1-2H3;1H.
What are the key properties of CID 173449370?
CID 173449370 has a molecular weight of 554.26 g/mol, XLogP of 14.47, 34 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173449370 is sourced from PubChem (CID 173449370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).