15-(2-bromoethyl)triacontane

C32H65Br — CID 121349535

IUPAC15-(2-bromoethyl)triacontane
SMILESCCCCCCCCCCCCCCCC(CCBr)CCCCCCCCCCCCCC
InChIInChI=1S/C32H65Br/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32(30-31-33)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32H,3-31H2,1-2H3
InChIKeyPGKJBYNCTBSIHE-UHFFFAOYSA-N
MW529.78 g/mol
LogP12.96
Rot. Bonds29

About 15-(2-bromoethyl)triacontane

15-(2-bromoethyl)triacontane (PubChem CID 121349535) has the molecular formula C32H65Br and a molecular weight of 529.78 g/mol. Its IUPAC name is 15-(2-bromoethyl)triacontane.

Molecular Properties

Compound Name15-(2-bromoethyl)triacontane
PubChem CID121349535
Molecular FormulaC32H65Br
Molecular Weight529.78 g/mol
Exact Mass528.43
IUPAC Name15-(2-bromoethyl)triacontane
SMILESCCCCCCCCCCCCCCCC(CCBr)CCCCCCCCCCCCCC
InChIInChI=1S/C32H65Br/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32(30-31-33)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32H,3-31H2,1-2H3
InChIKeyPGKJBYNCTBSIHE-UHFFFAOYSA-N
XLogP12.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds29
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.78
LogP ≤ 512.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

14-(2-bromoethyl)octacosane
CID 121349528
11-(7-bromoheptyl)tricosane
CID 175669850
15-(3-bromopropyl)hentriacontane
CID 18674718
9-(3-bromopropyl)nonadecane
CID 141467595
1-bromo-8-pentyltridecane
CID 177012761
9-(3-bromopropyl)heptadecane
CID 5152723
7-pentyltricosane
CID 90879409
11-pentylheptacosane
CID 91575569
7-pentylheptadecane
CID 528528
15-pentylheptatriacontane
CID 91048198
7-pentylnonadecane
CID 59903423
8-heptyloctadecane
CID 173205504

Frequently Asked Questions

What is the IUPAC name of 15-(2-bromoethyl)triacontane?
The IUPAC name of 15-(2-bromoethyl)triacontane (CID 121349535) is 15-(2-bromoethyl)triacontane.
What is the SMILES notation for 15-(2-bromoethyl)triacontane?
The canonical SMILES for 15-(2-bromoethyl)triacontane is CCCCCCCCCCCCCCCC(CCBr)CCCCCCCCCCCCCC.
What is the InChIKey of 15-(2-bromoethyl)triacontane?
The InChIKey is PGKJBYNCTBSIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H65Br/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32(30-31-33)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32H,3-31H2,1-2H3.
What are the key properties of 15-(2-bromoethyl)triacontane?
15-(2-bromoethyl)triacontane has a molecular weight of 529.78 g/mol, XLogP of 12.96, 29 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(2-bromoethyl)triacontane is sourced from PubChem (CID 121349535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).