5-(bromomethyl)-5-ethyl-2-methylnonane

C13H27Br — CID 66050233

IUPAC5-(bromomethyl)-5-ethyl-2-methylnonane
SMILESCCCCC(CC)(CBr)CCC(C)C
InChIInChI=1S/C13H27Br/c1-5-7-9-13(6-2,11-14)10-8-12(3)4/h12H,5-11H2,1-4H3
InChIKeyVQPAJVBFLPQUAC-UHFFFAOYSA-N
MW263.26 g/mol
LogP5.40
Rot. Bonds8

About 5-(bromomethyl)-5-ethyl-2-methylnonane

5-(bromomethyl)-5-ethyl-2-methylnonane (PubChem CID 66050233) has the molecular formula C13H27Br and a molecular weight of 263.26 g/mol. Its IUPAC name is 5-(bromomethyl)-5-ethyl-2-methylnonane.

Molecular Properties

Compound Name5-(bromomethyl)-5-ethyl-2-methylnonane
PubChem CID66050233
Molecular FormulaC13H27Br
Molecular Weight263.26 g/mol
Exact Mass262.13
IUPAC Name5-(bromomethyl)-5-ethyl-2-methylnonane
SMILESCCCCC(CC)(CBr)CCC(C)C
InChIInChI=1S/C13H27Br/c1-5-7-9-13(6-2,11-14)10-8-12(3)4/h12H,5-11H2,1-4H3
InChIKeyVQPAJVBFLPQUAC-UHFFFAOYSA-N
XLogP5.40
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 ≤ 55.40
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

5-(bromomethyl)-5-ethyldecane
CID 66050234
3-(bromomethyl)-3-ethyl-1-(2-methylpropoxy)heptane
CID 106459603
N-tert-butyl-2-butyl-2-ethyl-5-methylhexan-1-amine
CID 63509483
6,6-dibutyl-2-methyldecane
CID 150480915
6-butyl-2,10-dimethyl-6-(4-methylpentyl)undecane
CID 157290295
3,3-bis(bromomethyl)pentadecane
CID 79455553
2-(3-methylbutyl)-2-pentylpropane-1,3-diol
CID 165147923
4-(bromomethyl)-4-ethyl-1-ethylsulfonyloctane
CID 66048272
4,4-diethyl-2,7-dimethyloctane
CID 57492571
2-butyl-2-ethylpropane-1,3-diol;2-ethyl-2-(2-methylpropyl)propane-1,3-diol
CID 88623677
4,4-diethyloctane;ethane
CID 177031380
5,8-dibutyl-5,8-diethyldodecane
CID 140960006

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-5-ethyl-2-methylnonane?
The IUPAC name of 5-(bromomethyl)-5-ethyl-2-methylnonane (CID 66050233) is 5-(bromomethyl)-5-ethyl-2-methylnonane.
What is the SMILES notation for 5-(bromomethyl)-5-ethyl-2-methylnonane?
The canonical SMILES for 5-(bromomethyl)-5-ethyl-2-methylnonane is CCCCC(CC)(CBr)CCC(C)C.
What is the InChIKey of 5-(bromomethyl)-5-ethyl-2-methylnonane?
The InChIKey is VQPAJVBFLPQUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27Br/c1-5-7-9-13(6-2,11-14)10-8-12(3)4/h12H,5-11H2,1-4H3.
What are the key properties of 5-(bromomethyl)-5-ethyl-2-methylnonane?
5-(bromomethyl)-5-ethyl-2-methylnonane has a molecular weight of 263.26 g/mol, XLogP of 5.40, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-5-ethyl-2-methylnonane is sourced from PubChem (CID 66050233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).