1-bromooctadecane

C18H37Br — CID 8218

IUPAC1-bromooctadecane
SMILESCCCCCCCCCCCCCCCCCCBr
InChIInChI=1S/C18H37Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H2,1H3
InChIKeyWSULSMOGMLRGKU-UHFFFAOYSA-N
MW333.40 g/mol
LogP7.64
Rot. Bonds16

About 1-bromooctadecane

1-bromooctadecane (PubChem CID 8218) has the molecular formula C18H37Br and a molecular weight of 333.40 g/mol. Its IUPAC name is 1-bromooctadecane.

Molecular Properties

Compound Name1-bromooctadecane
PubChem CID8218
Molecular FormulaC18H37Br
Molecular Weight333.40 g/mol
Exact Mass332.21
IUPAC Name1-bromooctadecane
SMILESCCCCCCCCCCCCCCCCCCBr
InChIInChI=1S/C18H37Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H2,1H3
InChIKeyWSULSMOGMLRGKU-UHFFFAOYSA-N
XLogP7.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.40
LogP ≤ 57.64
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

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1-bromooctane
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1-bromobutane;1,6-dibromohexane
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1-bromopropane;octadecane
CID 174933584
1-bromohexadecane;N,N-diethylethanamine
CID 87113949
1-bromo-7,7-dideuterioundecane
CID 11075452
1-bromopentane;N-methylmethanamine;hydrobromide
CID 175458714
ethane;octadecane
CID 143981738
1-bromo-7-heptoxyheptane
CID 59707760
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CID 107844161

Frequently Asked Questions

What is the IUPAC name of 1-bromooctadecane?
The IUPAC name of 1-bromooctadecane (CID 8218) is 1-bromooctadecane.
What is the SMILES notation for 1-bromooctadecane?
The canonical SMILES for 1-bromooctadecane is CCCCCCCCCCCCCCCCCCBr.
What is the InChIKey of 1-bromooctadecane?
The InChIKey is WSULSMOGMLRGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H2,1H3.
What are the key properties of 1-bromooctadecane?
1-bromooctadecane has a molecular weight of 333.40 g/mol, XLogP of 7.64, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromooctadecane is sourced from PubChem (CID 8218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).