2-bromo-4-(1-iodoethyl)-7-methyldecane

C13H26BrI — CID 90206393

IUPAC2-bromo-4-(1-iodoethyl)-7-methyldecane
SMILESCCCC(C)CCC(CC(C)Br)C(C)I
InChIInChI=1S/C13H26BrI/c1-5-6-10(2)7-8-13(12(4)15)9-11(3)14/h10-13H,5-9H2,1-4H3
InChIKeyWAFIQHYWWWEWFZ-UHFFFAOYSA-N
MW389.16 g/mol
LogP5.82
Rot. Bonds8

About 2-bromo-4-(1-iodoethyl)-7-methyldecane

2-bromo-4-(1-iodoethyl)-7-methyldecane (PubChem CID 90206393) has the molecular formula C13H26BrI and a molecular weight of 389.16 g/mol. Its IUPAC name is 2-bromo-4-(1-iodoethyl)-7-methyldecane.

Molecular Properties

Compound Name2-bromo-4-(1-iodoethyl)-7-methyldecane
PubChem CID90206393
Molecular FormulaC13H26BrI
Molecular Weight389.16 g/mol
Exact Mass388.03
IUPAC Name2-bromo-4-(1-iodoethyl)-7-methyldecane
SMILESCCCC(C)CCC(CC(C)Br)C(C)I
InChIInChI=1S/C13H26BrI/c1-5-6-10(2)7-8-13(12(4)15)9-11(3)14/h10-13H,5-9H2,1-4H3
InChIKeyWAFIQHYWWWEWFZ-UHFFFAOYSA-N
XLogP5.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.16
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-methylheptane
CID 91413347
4-methylheptane
CID 11512
4-methylheptane;propane
CID 142171269
3,6-dimethylnonane;ethane;3-methylpentane
CID 143978343
(3R,6R)-3,6-dimethylnonane
CID 170848352
(4R)-1-bromo-4-methylheptane
CID 101151528
acetylene;4-methylheptane
CID 143164229
2-(1-iodoethyl)pentan-1-amine
CID 86037084
2-bromo-3,5-dimethyloctane
CID 63473338
1-bromo-1-iodobutane
CID 22138270
4-methylheptane;pentane
CID 142501546
5-methyl-2-(3-methylbutan-2-yl)octan-1-ol
CID 23315972

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(1-iodoethyl)-7-methyldecane?
The IUPAC name of 2-bromo-4-(1-iodoethyl)-7-methyldecane (CID 90206393) is 2-bromo-4-(1-iodoethyl)-7-methyldecane.
What is the SMILES notation for 2-bromo-4-(1-iodoethyl)-7-methyldecane?
The canonical SMILES for 2-bromo-4-(1-iodoethyl)-7-methyldecane is CCCC(C)CCC(CC(C)Br)C(C)I.
What is the InChIKey of 2-bromo-4-(1-iodoethyl)-7-methyldecane?
The InChIKey is WAFIQHYWWWEWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26BrI/c1-5-6-10(2)7-8-13(12(4)15)9-11(3)14/h10-13H,5-9H2,1-4H3.
What are the key properties of 2-bromo-4-(1-iodoethyl)-7-methyldecane?
2-bromo-4-(1-iodoethyl)-7-methyldecane has a molecular weight of 389.16 g/mol, XLogP of 5.82, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(1-iodoethyl)-7-methyldecane is sourced from PubChem (CID 90206393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).