1,1,2-tribromo-2-heptylcyclopropane

C10H17Br3 — CID 10970857

IUPAC1,1,2-tribromo-2-heptylcyclopropane
SMILESCCCCCCCC1(Br)CC1(Br)Br
InChIInChI=1S/C10H17Br3/c1-2-3-4-5-6-7-9(11)8-10(9,12)13/h2-8H2,1H3
InChIKeyGBLGXIGXLXIRCX-UHFFFAOYSA-N
MW376.96 g/mol
LogP5.37
Rot. Bonds6

About 1,1,2-tribromo-2-heptylcyclopropane

1,1,2-tribromo-2-heptylcyclopropane (PubChem CID 10970857) has the molecular formula C10H17Br3 and a molecular weight of 376.96 g/mol. Its IUPAC name is 1,1,2-tribromo-2-heptylcyclopropane.

Molecular Properties

Compound Name1,1,2-tribromo-2-heptylcyclopropane
PubChem CID10970857
Molecular FormulaC10H17Br3
Molecular Weight376.96 g/mol
Exact Mass373.89
IUPAC Name1,1,2-tribromo-2-heptylcyclopropane
SMILESCCCCCCCC1(Br)CC1(Br)Br
InChIInChI=1S/C10H17Br3/c1-2-3-4-5-6-7-9(11)8-10(9,12)13/h2-8H2,1H3
InChIKeyGBLGXIGXLXIRCX-UHFFFAOYSA-N
XLogP5.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.96
LogP ≤ 55.37
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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Related Compounds

CID 172851421
CID 172851421
CID 161216038
CID 161216038
1-hexyl-1,2,2-trimethylcyclopropane
CID 123520586
2-bromo-1,1-dihexylcyclopropane
CID 71500159
heptahectane
CID 123338944
dopentacontahectane
CID 23391374
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
henoctacontane
CID 22086342

Frequently Asked Questions

What is the IUPAC name of 1,1,2-tribromo-2-heptylcyclopropane?
The IUPAC name of 1,1,2-tribromo-2-heptylcyclopropane (CID 10970857) is 1,1,2-tribromo-2-heptylcyclopropane.
What is the SMILES notation for 1,1,2-tribromo-2-heptylcyclopropane?
The canonical SMILES for 1,1,2-tribromo-2-heptylcyclopropane is CCCCCCCC1(Br)CC1(Br)Br.
What is the InChIKey of 1,1,2-tribromo-2-heptylcyclopropane?
The InChIKey is GBLGXIGXLXIRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17Br3/c1-2-3-4-5-6-7-9(11)8-10(9,12)13/h2-8H2,1H3.
What are the key properties of 1,1,2-tribromo-2-heptylcyclopropane?
1,1,2-tribromo-2-heptylcyclopropane has a molecular weight of 376.96 g/mol, XLogP of 5.37, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-tribromo-2-heptylcyclopropane is sourced from PubChem (CID 10970857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).