(10R)-1-bromo-10-methylhexadecane

C17H35Br — CID 56653148

IUPAC(10R)-1-bromo-10-methylhexadecane
SMILESCCCCCC[C@@H](C)CCCCCCCCCBr
InChIInChI=1S/C17H35Br/c1-3-4-5-11-14-17(2)15-12-9-7-6-8-10-13-16-18/h17H,3-16H2,1-2H3/t17-/m1/s1
InChIKeyICELVBOCLYOXIR-QGZVFWFLSA-N
MW319.37 g/mol
LogP7.11
Rot. Bonds14

About (10R)-1-bromo-10-methylhexadecane

(10R)-1-bromo-10-methylhexadecane (PubChem CID 56653148) has the molecular formula C17H35Br and a molecular weight of 319.37 g/mol. Its IUPAC name is (10R)-1-bromo-10-methylhexadecane.

Molecular Properties

Compound Name(10R)-1-bromo-10-methylhexadecane
PubChem CID56653148
Molecular FormulaC17H35Br
Molecular Weight319.37 g/mol
Exact Mass318.19
IUPAC Name(10R)-1-bromo-10-methylhexadecane
SMILESCCCCCC[C@@H](C)CCCCCCCCCBr
InChIInChI=1S/C17H35Br/c1-3-4-5-11-14-17(2)15-12-9-7-6-8-10-13-16-18/h17H,3-16H2,1-2H3/t17-/m1/s1
InChIKeyICELVBOCLYOXIR-QGZVFWFLSA-N
XLogP7.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.37
LogP ≤ 57.11
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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Frequently Asked Questions

What is the IUPAC name of (10R)-1-bromo-10-methylhexadecane?
The IUPAC name of (10R)-1-bromo-10-methylhexadecane (CID 56653148) is (10R)-1-bromo-10-methylhexadecane.
What is the SMILES notation for (10R)-1-bromo-10-methylhexadecane?
The canonical SMILES for (10R)-1-bromo-10-methylhexadecane is CCCCCC[C@@H](C)CCCCCCCCCBr.
What is the InChIKey of (10R)-1-bromo-10-methylhexadecane?
The InChIKey is ICELVBOCLYOXIR-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H35Br/c1-3-4-5-11-14-17(2)15-12-9-7-6-8-10-13-16-18/h17H,3-16H2,1-2H3/t17-/m1/s1.
What are the key properties of (10R)-1-bromo-10-methylhexadecane?
(10R)-1-bromo-10-methylhexadecane has a molecular weight of 319.37 g/mol, XLogP of 7.11, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-1-bromo-10-methylhexadecane is sourced from PubChem (CID 56653148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).