1-bromo-4-ethyl-5,8-dimethylnonane

C13H27Br — CID 89010236

IUPAC1-bromo-4-ethyl-5,8-dimethylnonane
SMILESCCC(CCCBr)C(C)CCC(C)C
InChIInChI=1S/C13H27Br/c1-5-13(7-6-10-14)12(4)9-8-11(2)3/h11-13H,5-10H2,1-4H3
InChIKeyJOJCVUPSBUVZDD-UHFFFAOYSA-N
MW263.26 g/mol
LogP5.26
Rot. Bonds8

About 1-bromo-4-ethyl-5,8-dimethylnonane

1-bromo-4-ethyl-5,8-dimethylnonane (PubChem CID 89010236) has the molecular formula C13H27Br and a molecular weight of 263.26 g/mol. Its IUPAC name is 1-bromo-4-ethyl-5,8-dimethylnonane.

Molecular Properties

Compound Name1-bromo-4-ethyl-5,8-dimethylnonane
PubChem CID89010236
Molecular FormulaC13H27Br
Molecular Weight263.26 g/mol
Exact Mass262.13
IUPAC Name1-bromo-4-ethyl-5,8-dimethylnonane
SMILESCCC(CCCBr)C(C)CCC(C)C
InChIInChI=1S/C13H27Br/c1-5-13(7-6-10-14)12(4)9-8-11(2)3/h11-13H,5-10H2,1-4H3
InChIKeyJOJCVUPSBUVZDD-UHFFFAOYSA-N
XLogP5.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.26
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-ethyl-2,5-dimethylnonane
CID 54499682
5,11-diethyl-2,10-dimethyl-7-propyltetradecane;ethane;propane
CID 143978230
5-butyl-2,6-dimethyldecane
CID 123775332
8-ethyl-7-methylhexadecane
CID 56974440
1-bromo-11-methyldodecane
CID 15569727
2,5,8-trimethyl-4-(2-methylpropyl)nonane
CID 18961431
1-bromo-20-methylhenicosane
CID 10982010
9-ethyl-3,8-dimethyl-4-propyldodecane
CID 142338103
(5S,6R)-2,5,6-trimethyldecane
CID 154723790
7-ethyl-3,6-dimethyldecane
CID 57491785
4-ethyl-3-methylundecane
CID 57279647
6-ethyl-2-methyl-7-propylpentadecane
CID 123507470

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-ethyl-5,8-dimethylnonane?
The IUPAC name of 1-bromo-4-ethyl-5,8-dimethylnonane (CID 89010236) is 1-bromo-4-ethyl-5,8-dimethylnonane.
What is the SMILES notation for 1-bromo-4-ethyl-5,8-dimethylnonane?
The canonical SMILES for 1-bromo-4-ethyl-5,8-dimethylnonane is CCC(CCCBr)C(C)CCC(C)C.
What is the InChIKey of 1-bromo-4-ethyl-5,8-dimethylnonane?
The InChIKey is JOJCVUPSBUVZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27Br/c1-5-13(7-6-10-14)12(4)9-8-11(2)3/h11-13H,5-10H2,1-4H3.
What are the key properties of 1-bromo-4-ethyl-5,8-dimethylnonane?
1-bromo-4-ethyl-5,8-dimethylnonane has a molecular weight of 263.26 g/mol, XLogP of 5.26, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-ethyl-5,8-dimethylnonane is sourced from PubChem (CID 89010236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).