9-(bromomethyl)nonadecane

C20H41Br — CID 23148745

IUPAC9-(bromomethyl)nonadecane
SMILESCCCCCCCCCCC(CBr)CCCCCCCC
InChIInChI=1S/C20H41Br/c1-3-5-7-9-11-12-14-16-18-20(19-21)17-15-13-10-8-6-4-2/h20H,3-19H2,1-2H3
InChIKeyXSQSDBVMLJNZKU-UHFFFAOYSA-N
MW361.45 g/mol
LogP8.28
Rot. Bonds17

About 9-(bromomethyl)nonadecane

9-(bromomethyl)nonadecane (PubChem CID 23148745) has the molecular formula C20H41Br and a molecular weight of 361.45 g/mol. Its IUPAC name is 9-(bromomethyl)nonadecane.

Molecular Properties

Compound Name9-(bromomethyl)nonadecane
PubChem CID23148745
Molecular FormulaC20H41Br
Molecular Weight361.45 g/mol
Exact Mass360.24
IUPAC Name9-(bromomethyl)nonadecane
SMILESCCCCCCCCCCC(CBr)CCCCCCCC
InChIInChI=1S/C20H41Br/c1-3-5-7-9-11-12-14-16-18-20(19-21)17-15-13-10-8-6-4-2/h20H,3-19H2,1-2H3
InChIKeyXSQSDBVMLJNZKU-UHFFFAOYSA-N
XLogP8.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.45
LogP ≤ 58.28
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'}

Analyze 9-(bromomethyl)nonadecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-(bromomethyl)nonadecane?
The IUPAC name of 9-(bromomethyl)nonadecane (CID 23148745) is 9-(bromomethyl)nonadecane.
What is the SMILES notation for 9-(bromomethyl)nonadecane?
The canonical SMILES for 9-(bromomethyl)nonadecane is CCCCCCCCCCC(CBr)CCCCCCCC.
What is the InChIKey of 9-(bromomethyl)nonadecane?
The InChIKey is XSQSDBVMLJNZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41Br/c1-3-5-7-9-11-12-14-16-18-20(19-21)17-15-13-10-8-6-4-2/h20H,3-19H2,1-2H3.
What are the key properties of 9-(bromomethyl)nonadecane?
9-(bromomethyl)nonadecane has a molecular weight of 361.45 g/mol, XLogP of 8.28, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(bromomethyl)nonadecane is sourced from PubChem (CID 23148745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).