2-(6-bromohexoxy)ethylcyclohexane

C14H27BrO — CID 19987546

IUPAC2-(6-bromohexoxy)ethylcyclohexane
SMILESBrCCCCCCOCCC1CCCCC1
InChIInChI=1S/C14H27BrO/c15-11-6-1-2-7-12-16-13-10-14-8-4-3-5-9-14/h14H,1-13H2
InChIKeyHTCWWJNBVNBILT-UHFFFAOYSA-N
MW291.27 g/mol
LogP4.93
Rot. Bonds9

About 2-(6-bromohexoxy)ethylcyclohexane

2-(6-bromohexoxy)ethylcyclohexane (PubChem CID 19987546) has the molecular formula C14H27BrO and a molecular weight of 291.27 g/mol. Its IUPAC name is 2-(6-bromohexoxy)ethylcyclohexane.

Molecular Properties

Compound Name2-(6-bromohexoxy)ethylcyclohexane
PubChem CID19987546
Molecular FormulaC14H27BrO
Molecular Weight291.27 g/mol
Exact Mass290.12
IUPAC Name2-(6-bromohexoxy)ethylcyclohexane
SMILESBrCCCCCCOCCC1CCCCC1
InChIInChI=1S/C14H27BrO/c15-11-6-1-2-7-12-16-13-10-14-8-4-3-5-9-14/h14H,1-13H2
InChIKeyHTCWWJNBVNBILT-UHFFFAOYSA-N
XLogP4.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 54.93
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-bromobutoxymethylcyclopentane
CID 66323692
1,8-bis(4-bromobutoxy)octane
CID 139648501
1,5-bis(4-bromobutoxy)pentane
CID 139648570
3-(2-cyclopentylethoxy)propan-1-ol
CID 174164261
5-bromopentylcyclohexane;5-iodopentylcyclohexane
CID 160945423
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CID 11078592
1-[8-(2-cyclohexylethoxy)octyl]imidazole
CID 54118364
2-[2-(2-cyclohexylethoxy)ethyl]piperidine
CID 56829863
N-[2-(2-cyclobutylethoxy)ethyl]cycloheptanamine
CID 114158070
5-(2-cyclobutylethoxy)pentanimidamide
CID 106202150
5-(2-cyclopropylethoxy)-N-propan-2-ylpentan-1-amine
CID 106205729
1-bromo-7-heptoxyheptane
CID 59707760

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromohexoxy)ethylcyclohexane?
The IUPAC name of 2-(6-bromohexoxy)ethylcyclohexane (CID 19987546) is 2-(6-bromohexoxy)ethylcyclohexane.
What is the SMILES notation for 2-(6-bromohexoxy)ethylcyclohexane?
The canonical SMILES for 2-(6-bromohexoxy)ethylcyclohexane is BrCCCCCCOCCC1CCCCC1.
What is the InChIKey of 2-(6-bromohexoxy)ethylcyclohexane?
The InChIKey is HTCWWJNBVNBILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27BrO/c15-11-6-1-2-7-12-16-13-10-14-8-4-3-5-9-14/h14H,1-13H2.
What are the key properties of 2-(6-bromohexoxy)ethylcyclohexane?
2-(6-bromohexoxy)ethylcyclohexane has a molecular weight of 291.27 g/mol, XLogP of 4.93, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromohexoxy)ethylcyclohexane is sourced from PubChem (CID 19987546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).