2-(6-bromohexoxy)ethylcyclopentane

C13H25BrO — CID 19987558

IUPAC2-(6-bromohexoxy)ethylcyclopentane
SMILESBrCCCCCCOCCC1CCCC1
InChIInChI=1S/C13H25BrO/c14-10-5-1-2-6-11-15-12-9-13-7-3-4-8-13/h13H,1-12H2
InChIKeyKRSBQKFWFITGJO-UHFFFAOYSA-N
MW277.25 g/mol
LogP4.54
Rot. Bonds9

About 2-(6-bromohexoxy)ethylcyclopentane

2-(6-bromohexoxy)ethylcyclopentane (PubChem CID 19987558) has the molecular formula C13H25BrO and a molecular weight of 277.25 g/mol. Its IUPAC name is 2-(6-bromohexoxy)ethylcyclopentane.

Molecular Properties

Compound Name2-(6-bromohexoxy)ethylcyclopentane
PubChem CID19987558
Molecular FormulaC13H25BrO
Molecular Weight277.25 g/mol
Exact Mass276.11
IUPAC Name2-(6-bromohexoxy)ethylcyclopentane
SMILESBrCCCCCCOCCC1CCCC1
InChIInChI=1S/C13H25BrO/c14-10-5-1-2-6-11-15-12-9-13-7-3-4-8-13/h13H,1-12H2
InChIKeyKRSBQKFWFITGJO-UHFFFAOYSA-N
XLogP4.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

4-(4-Bromobutyl)oxane
CID 57699701
[1-Bromo-3-(2,2,2-trifluoroethoxy)propan-2-yl]cyclopentane
CID 106706600
2-(6-Bromohexoxy)ethylcyclohexane
CID 19987546
6-Bromohexoxymethylcyclohexane
CID 19987560
2-(4-Bromobutoxy)ethylcyclohexane
CID 20471782
1-Bromopropoxymethylcyclohexane
CID 22599123
1-Bromo-1-butoxy-3,7-dimethyloctane
CID 23454311
3-(4-Bromobutoxymethyl)heptane
CID 43165212
5-(Cyclohexylmethoxy)pentyl bromide
CID 54015431
3-(3-Bromopropyl)oxane
CID 54491206
3-(4-Bromobutyl)oxolane
CID 57699612
3-(4-bromobutyl)tetrahydro-2H-pyran
CID 57699628

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromohexoxy)ethylcyclopentane?
The IUPAC name of 2-(6-bromohexoxy)ethylcyclopentane (CID 19987558) is 2-(6-bromohexoxy)ethylcyclopentane.
What is the SMILES notation for 2-(6-bromohexoxy)ethylcyclopentane?
The canonical SMILES for 2-(6-bromohexoxy)ethylcyclopentane is BrCCCCCCOCCC1CCCC1.
What is the InChIKey of 2-(6-bromohexoxy)ethylcyclopentane?
The InChIKey is KRSBQKFWFITGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25BrO/c14-10-5-1-2-6-11-15-12-9-13-7-3-4-8-13/h13H,1-12H2.
What are the key properties of 2-(6-bromohexoxy)ethylcyclopentane?
2-(6-bromohexoxy)ethylcyclopentane has a molecular weight of 277.25 g/mol, XLogP of 4.54, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromohexoxy)ethylcyclopentane is sourced from PubChem (CID 19987558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).