1-bromoethylcyclododecane

C14H27Br — CID 66471074

IUPAC1-bromoethylcyclododecane
SMILESCC(Br)C1CCCCCCCCCCC1
InChIInChI=1S/C14H27Br/c1-13(15)14-11-9-7-5-3-2-4-6-8-10-12-14/h13-14H,2-12H2,1H3
InChIKeyMTGYACCAACUOKQ-UHFFFAOYSA-N
MW275.27 g/mol
LogP5.69
Rot. Bonds1

About 1-bromoethylcyclododecane

1-bromoethylcyclododecane (PubChem CID 66471074) has the molecular formula C14H27Br and a molecular weight of 275.27 g/mol. Its IUPAC name is 1-bromoethylcyclododecane.

Molecular Properties

Compound Name1-bromoethylcyclododecane
PubChem CID66471074
Molecular FormulaC14H27Br
Molecular Weight275.27 g/mol
Exact Mass274.13
IUPAC Name1-bromoethylcyclododecane
SMILESCC(Br)C1CCCCCCCCCCC1
InChIInChI=1S/C14H27Br/c1-13(15)14-11-9-7-5-3-2-4-6-8-10-12-14/h13-14H,2-12H2,1H3
InChIKeyMTGYACCAACUOKQ-UHFFFAOYSA-N
XLogP5.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.27
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1-bromo-2-methylpropyl)cyclododecane
CID 79298781
methane;propan-2-ylcyclotetradecane
CID 159882779
1-cyclopentylethylcyclohexane
CID 57034702
di(cyclohexadecyl)methylcyclohexadecane
CID 175406938
ethane;methane;propan-2-ylcyclohexane
CID 169430642
8-(1-bromoethyl)spiro[4.5]decane
CID 114821018
1-chloroethylcyclododecane
CID 66468842
2-deuteriopropan-2-ylcyclohexane
CID 153320252
(1-cycloheptadecyl-2-methylpropyl)cycloheptadecane
CID 123633331
2,2-dimethylpropane;propan-2-ylcyclohexane
CID 159663996
benzene;propan-2-ylcyclohexane
CID 163364158
2-bromo-N-(1-cyclohexylethyl)propanamide
CID 107905148

Frequently Asked Questions

What is the IUPAC name of 1-bromoethylcyclododecane?
The IUPAC name of 1-bromoethylcyclododecane (CID 66471074) is 1-bromoethylcyclododecane.
What is the SMILES notation for 1-bromoethylcyclododecane?
The canonical SMILES for 1-bromoethylcyclododecane is CC(Br)C1CCCCCCCCCCC1.
What is the InChIKey of 1-bromoethylcyclododecane?
The InChIKey is MTGYACCAACUOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27Br/c1-13(15)14-11-9-7-5-3-2-4-6-8-10-12-14/h13-14H,2-12H2,1H3.
What are the key properties of 1-bromoethylcyclododecane?
1-bromoethylcyclododecane has a molecular weight of 275.27 g/mol, XLogP of 5.69, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromoethylcyclododecane is sourced from PubChem (CID 66471074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).