2,13-dibromotetradecane

C14H28Br2 — CID 150586187

IUPAC2,13-dibromotetradecane
SMILESCC(Br)CCCCCCCCCCC(C)Br
InChIInChI=1S/C14H28Br2/c1-13(15)11-9-7-5-3-4-6-8-10-12-14(2)16/h13-14H,3-12H2,1-2H3
InChIKeyIOWXPACCEDZPAV-UHFFFAOYSA-N
MW356.19 g/mol
LogP6.45
Rot. Bonds11

About 2,13-dibromotetradecane

2,13-dibromotetradecane (PubChem CID 150586187) has the molecular formula C14H28Br2 and a molecular weight of 356.19 g/mol. Its IUPAC name is 2,13-dibromotetradecane.

Molecular Properties

Compound Name2,13-dibromotetradecane
PubChem CID150586187
Molecular FormulaC14H28Br2
Molecular Weight356.19 g/mol
Exact Mass354.06
IUPAC Name2,13-dibromotetradecane
SMILESCC(Br)CCCCCCCCCCC(C)Br
InChIInChI=1S/C14H28Br2/c1-13(15)11-9-7-5-3-4-6-8-10-12-14(2)16/h13-14H,3-12H2,1-2H3
InChIKeyIOWXPACCEDZPAV-UHFFFAOYSA-N
XLogP6.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.19
LogP ≤ 56.45
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

2-bromo-8-methylnonane
CID 83169222
1,6-dibromoheptane
CID 12575830
1,7-dibromooctane
CID 14490019
9-bromodecan-1-ol
CID 18177035
8-bromononan-1-ol
CID 18177005
15-bromohexadecanoic acid
CID 22242436
6-bromoheptanoic acid
CID 18767531
6-bromohept-1-ene
CID 12722403
9-aminononanoic acid;9-bromodecanoic acid
CID 87177753
1,3-dibromobutane;1,3-dibromopropane
CID 160634915
2-bromo-5-methylhexane
CID 15716192
2-bromotridecane;morpholine
CID 70520110

Frequently Asked Questions

What is the IUPAC name of 2,13-dibromotetradecane?
The IUPAC name of 2,13-dibromotetradecane (CID 150586187) is 2,13-dibromotetradecane.
What is the SMILES notation for 2,13-dibromotetradecane?
The canonical SMILES for 2,13-dibromotetradecane is CC(Br)CCCCCCCCCCC(C)Br.
What is the InChIKey of 2,13-dibromotetradecane?
The InChIKey is IOWXPACCEDZPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28Br2/c1-13(15)11-9-7-5-3-4-6-8-10-12-14(2)16/h13-14H,3-12H2,1-2H3.
What are the key properties of 2,13-dibromotetradecane?
2,13-dibromotetradecane has a molecular weight of 356.19 g/mol, XLogP of 6.45, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,13-dibromotetradecane is sourced from PubChem (CID 150586187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).