15-(3-bromopropyl)hentriacontane

C34H69Br — CID 18674718

IUPAC15-(3-bromopropyl)hentriacontane
SMILESCCCCCCCCCCCCCCCCC(CCCBr)CCCCCCCCCCCCCC
InChIInChI=1S/C34H69Br/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-31-34(32-29-33-35)30-27-25-23-21-19-16-14-12-10-8-6-4-2/h34H,3-33H2,1-2H3
InChIKeyABNKMPXJNRXXBZ-UHFFFAOYSA-N
MW557.83 g/mol
LogP13.74
Rot. Bonds31

About 15-(3-bromopropyl)hentriacontane

15-(3-bromopropyl)hentriacontane (PubChem CID 18674718) has the molecular formula C34H69Br and a molecular weight of 557.83 g/mol. Its IUPAC name is 15-(3-bromopropyl)hentriacontane.

Molecular Properties

Compound Name15-(3-bromopropyl)hentriacontane
PubChem CID18674718
Molecular FormulaC34H69Br
Molecular Weight557.83 g/mol
Exact Mass556.46
IUPAC Name15-(3-bromopropyl)hentriacontane
SMILESCCCCCCCCCCCCCCCCC(CCCBr)CCCCCCCCCCCCCC
InChIInChI=1S/C34H69Br/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-31-34(32-29-33-35)30-27-25-23-21-19-16-14-12-10-8-6-4-2/h34H,3-33H2,1-2H3
InChIKeyABNKMPXJNRXXBZ-UHFFFAOYSA-N
XLogP13.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds31
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.83
LogP ≤ 513.74
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

9-(3-bromopropyl)nonadecane
CID 141467595
9-(3-bromopropyl)heptadecane
CID 5152723
11-(7-bromoheptyl)tricosane
CID 175669850
1-bromo-8-pentyltridecane
CID 177012761
15-(2-bromoethyl)triacontane
CID 121349535
14-(2-bromoethyl)octacosane
CID 121349528
6-pentyldocosane
CID 90762104
7-pentyltricosane
CID 90879409
11-pentylheptacosane
CID 91575569
13-pentylheptacosane
CID 91387927
10-octylicosane
CID 20514731
7-pentylheptadecane
CID 528528

Frequently Asked Questions

What is the IUPAC name of 15-(3-bromopropyl)hentriacontane?
The IUPAC name of 15-(3-bromopropyl)hentriacontane (CID 18674718) is 15-(3-bromopropyl)hentriacontane.
What is the SMILES notation for 15-(3-bromopropyl)hentriacontane?
The canonical SMILES for 15-(3-bromopropyl)hentriacontane is CCCCCCCCCCCCCCCCC(CCCBr)CCCCCCCCCCCCCC.
What is the InChIKey of 15-(3-bromopropyl)hentriacontane?
The InChIKey is ABNKMPXJNRXXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H69Br/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-31-34(32-29-33-35)30-27-25-23-21-19-16-14-12-10-8-6-4-2/h34H,3-33H2,1-2H3.
What are the key properties of 15-(3-bromopropyl)hentriacontane?
15-(3-bromopropyl)hentriacontane has a molecular weight of 557.83 g/mol, XLogP of 13.74, 31 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(3-bromopropyl)hentriacontane is sourced from PubChem (CID 18674718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).