1-bromo-2-(2-ethylcyclohexyl)oxycyclooctane

C16H29BrO — CID 114772757

IUPAC1-bromo-2-(2-ethylcyclohexyl)oxycyclooctane
SMILESCCC1CCCCC1OC1CCCCCCC1Br
InChIInChI=1S/C16H29BrO/c1-2-13-9-7-8-11-15(13)18-16-12-6-4-3-5-10-14(16)17/h13-16H,2-12H2,1H3
InChIKeyHLBWEJDNYVVVNY-UHFFFAOYSA-N
MW317.31 g/mol
LogP5.46
Rot. Bonds3

About 1-bromo-2-(2-ethylcyclohexyl)oxycyclooctane

1-bromo-2-(2-ethylcyclohexyl)oxycyclooctane (PubChem CID 114772757) has the molecular formula C16H29BrO and a molecular weight of 317.31 g/mol. Its IUPAC name is 1-bromo-2-(2-ethylcyclohexyl)oxycyclooctane.

Molecular Properties

Compound Name1-bromo-2-(2-ethylcyclohexyl)oxycyclooctane
PubChem CID114772757
Molecular FormulaC16H29BrO
Molecular Weight317.31 g/mol
Exact Mass316.14
IUPAC Name1-bromo-2-(2-ethylcyclohexyl)oxycyclooctane
SMILESCCC1CCCCC1OC1CCCCCCC1Br
InChIInChI=1S/C16H29BrO/c1-2-13-9-7-8-11-15(13)18-16-12-6-4-3-5-10-14(16)17/h13-16H,2-12H2,1H3
InChIKeyHLBWEJDNYVVVNY-UHFFFAOYSA-N
XLogP5.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.31
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-2-(2-ethylcyclohexyl)oxycyclohexane
CID 63470245
2-(2-ethylcyclohexyl)oxycycloheptan-1-amine
CID 60725474
3-bromo-1-(2-ethylcyclohexyl)oxyspiro[3.5]nonane
CID 66344665
1-ethyl-2-hydroperoxycyclohexane
CID 175085860
(2-bromocyclopentyl)oxycyclooctane
CID 165493454
1-(3-bromopropoxy)-2-ethylcyclohexane
CID 43135438
1-bromo-2-(2-propoxyethoxy)cyclooctane
CID 114774148
CID 160611346
CID 160611346
1-bromo-2-(methoxymethyl)cycloheptane
CID 79570808
2-bromo-5-(2-ethylcyclohexyl)oxy-1,3,4-thiadiazole
CID 64622389
1-bromo-2-(3-methylbutoxy)cyclooctane
CID 114772941
1-(bromomethyl)-1-(2-ethylcyclohexyl)oxy-4-propylcyclohexane
CID 63470253

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(2-ethylcyclohexyl)oxycyclooctane?
The IUPAC name of 1-bromo-2-(2-ethylcyclohexyl)oxycyclooctane (CID 114772757) is 1-bromo-2-(2-ethylcyclohexyl)oxycyclooctane.
What is the SMILES notation for 1-bromo-2-(2-ethylcyclohexyl)oxycyclooctane?
The canonical SMILES for 1-bromo-2-(2-ethylcyclohexyl)oxycyclooctane is CCC1CCCCC1OC1CCCCCCC1Br.
What is the InChIKey of 1-bromo-2-(2-ethylcyclohexyl)oxycyclooctane?
The InChIKey is HLBWEJDNYVVVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29BrO/c1-2-13-9-7-8-11-15(13)18-16-12-6-4-3-5-10-14(16)17/h13-16H,2-12H2,1H3.
What are the key properties of 1-bromo-2-(2-ethylcyclohexyl)oxycyclooctane?
1-bromo-2-(2-ethylcyclohexyl)oxycyclooctane has a molecular weight of 317.31 g/mol, XLogP of 5.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(2-ethylcyclohexyl)oxycyclooctane is sourced from PubChem (CID 114772757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).