1,2,7-tribromoheptane

C7H13Br3 — CID 140914987

IUPAC1,2,7-tribromoheptane
SMILESBrCCCCCC(Br)CBr
InChIInChI=1S/C7H13Br3/c8-5-3-1-2-4-7(10)6-9/h7H,1-6H2
InChIKeyGUFNWEFNENKHKU-UHFFFAOYSA-N
MW336.89 g/mol
LogP4.10
Rot. Bonds6

About 1,2,7-tribromoheptane

1,2,7-tribromoheptane (PubChem CID 140914987) has the molecular formula C7H13Br3 and a molecular weight of 336.89 g/mol. Its IUPAC name is 1,2,7-tribromoheptane.

Molecular Properties

Compound Name1,2,7-tribromoheptane
PubChem CID140914987
Molecular FormulaC7H13Br3
Molecular Weight336.89 g/mol
Exact Mass333.86
IUPAC Name1,2,7-tribromoheptane
SMILESBrCCCCCC(Br)CBr
InChIInChI=1S/C7H13Br3/c8-5-3-1-2-4-7(10)6-9/h7H,1-6H2
InChIKeyGUFNWEFNENKHKU-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.89
LogP ≤ 54.10
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

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CID 166642867
1,1,15-tribromopentadecane
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1,1,13-tribromotridecane
CID 118276299
1,6-dibromododecane
CID 18940788
1,8,9,18-tetrabromooctadecane
CID 54213265
1,6-dibromoheptane
CID 12575830
1,7-dibromooctane
CID 14490019
1,8-dibromo-1-iodooctane
CID 174451062
1,6-dibromo-1-(1,6-dibromohexoxy)hexane
CID 154634435
1,40-dibromotetracontane
CID 11614635
1,4-dibromononane
CID 123668754
1-bromo-11-methyldodecane
CID 15569727

Frequently Asked Questions

What is the IUPAC name of 1,2,7-tribromoheptane?
The IUPAC name of 1,2,7-tribromoheptane (CID 140914987) is 1,2,7-tribromoheptane.
What is the SMILES notation for 1,2,7-tribromoheptane?
The canonical SMILES for 1,2,7-tribromoheptane is BrCCCCCC(Br)CBr.
What is the InChIKey of 1,2,7-tribromoheptane?
The InChIKey is GUFNWEFNENKHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13Br3/c8-5-3-1-2-4-7(10)6-9/h7H,1-6H2.
What are the key properties of 1,2,7-tribromoheptane?
1,2,7-tribromoheptane has a molecular weight of 336.89 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,7-tribromoheptane is sourced from PubChem (CID 140914987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).