1-bromononadecane

C19H39Br — CID 20496

IUPAC1-bromononadecane
SMILESCCCCCCCCCCCCCCCCCCCBr
InChIInChI=1S/C19H39Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20/h2-19H2,1H3
InChIKeyGWESGLGUMMNXDU-UHFFFAOYSA-N
MW347.43 g/mol
LogP8.03
Rot. Bonds17

About 1-bromononadecane

1-bromononadecane (PubChem CID 20496) has the molecular formula C19H39Br and a molecular weight of 347.43 g/mol. Its IUPAC name is 1-bromononadecane.

Molecular Properties

Compound Name1-bromononadecane
PubChem CID20496
Molecular FormulaC19H39Br
Molecular Weight347.43 g/mol
Exact Mass346.22
IUPAC Name1-bromononadecane
SMILESCCCCCCCCCCCCCCCCCCCBr
InChIInChI=1S/C19H39Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20/h2-19H2,1H3
InChIKeyGWESGLGUMMNXDU-UHFFFAOYSA-N
XLogP8.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.43
LogP ≤ 58.03
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-bromooctadecane
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1-bromohexadecane;methane
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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
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CID 107844161

Frequently Asked Questions

What is the IUPAC name of 1-bromononadecane?
The IUPAC name of 1-bromononadecane (CID 20496) is 1-bromononadecane.
What is the SMILES notation for 1-bromononadecane?
The canonical SMILES for 1-bromononadecane is CCCCCCCCCCCCCCCCCCCBr.
What is the InChIKey of 1-bromononadecane?
The InChIKey is GWESGLGUMMNXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20/h2-19H2,1H3.
What are the key properties of 1-bromononadecane?
1-bromononadecane has a molecular weight of 347.43 g/mol, XLogP of 8.03, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromononadecane is sourced from PubChem (CID 20496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).