4,4-bis(bromomethyl)undecane

C13H26Br2 — CID 79453128

IUPAC4,4-bis(bromomethyl)undecane
SMILESCCCCCCCC(CBr)(CBr)CCC
InChIInChI=1S/C13H26Br2/c1-3-5-6-7-8-10-13(11-14,12-15)9-4-2/h3-12H2,1-2H3
InChIKeyHISMSTDFEIOLIQ-UHFFFAOYSA-N
MW342.16 g/mol
LogP5.92
Rot. Bonds10

About 4,4-bis(bromomethyl)undecane

4,4-bis(bromomethyl)undecane (PubChem CID 79453128) has the molecular formula C13H26Br2 and a molecular weight of 342.16 g/mol. Its IUPAC name is 4,4-bis(bromomethyl)undecane.

Molecular Properties

Compound Name4,4-bis(bromomethyl)undecane
PubChem CID79453128
Molecular FormulaC13H26Br2
Molecular Weight342.16 g/mol
Exact Mass340.04
IUPAC Name4,4-bis(bromomethyl)undecane
SMILESCCCCCCCC(CBr)(CBr)CCC
InChIInChI=1S/C13H26Br2/c1-3-5-6-7-8-10-13(11-14,12-15)9-4-2/h3-12H2,1-2H3
InChIKeyHISMSTDFEIOLIQ-UHFFFAOYSA-N
XLogP5.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.16
LogP ≤ 55.92
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

3,3-bis(bromomethyl)pentadecane
CID 79455553
4,4-bis(bromomethyl)heptane
CID 79004116
5-(bromomethyl)-5-ethyldecane
CID 66050234
1-bromo-2,2-bis(bromomethyl)pentane
CID 88845529
19-hexadecyl-19-nonylnonatriacontane
CID 90913331
6,6-dipentylpentadecane
CID 152650171
9,9-dioctyloctadecane
CID 19690418
8-hexyl-8-pentylhexadecane
CID 521602
9-(2-bromoethyl)-9-octylheptadecane
CID 141338192
10,10-dibutylicosane
CID 151498539
4-(bromomethyl)-4-(octoxymethyl)heptane
CID 65005941
4,4,9,9-tetrapropyldodecane
CID 140610407

Frequently Asked Questions

What is the IUPAC name of 4,4-bis(bromomethyl)undecane?
The IUPAC name of 4,4-bis(bromomethyl)undecane (CID 79453128) is 4,4-bis(bromomethyl)undecane.
What is the SMILES notation for 4,4-bis(bromomethyl)undecane?
The canonical SMILES for 4,4-bis(bromomethyl)undecane is CCCCCCCC(CBr)(CBr)CCC.
What is the InChIKey of 4,4-bis(bromomethyl)undecane?
The InChIKey is HISMSTDFEIOLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26Br2/c1-3-5-6-7-8-10-13(11-14,12-15)9-4-2/h3-12H2,1-2H3.
What are the key properties of 4,4-bis(bromomethyl)undecane?
4,4-bis(bromomethyl)undecane has a molecular weight of 342.16 g/mol, XLogP of 5.92, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(bromomethyl)undecane is sourced from PubChem (CID 79453128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).