1-(3-bromopropoxy)-2-ethylcyclohexane

C11H21BrO — CID 43135438

IUPAC1-(3-bromopropoxy)-2-ethylcyclohexane
SMILESCCC1CCCCC1OCCCBr
InChIInChI=1S/C11H21BrO/c1-2-10-6-3-4-7-11(10)13-9-5-8-12/h10-11H,2-9H2,1H3
InChIKeyPJAXZJHGROZXKZ-UHFFFAOYSA-N
MW249.19 g/mol
LogP3.76
Rot. Bonds5

About 1-(3-bromopropoxy)-2-ethylcyclohexane

1-(3-bromopropoxy)-2-ethylcyclohexane (PubChem CID 43135438) has the molecular formula C11H21BrO and a molecular weight of 249.19 g/mol. Its IUPAC name is 1-(3-bromopropoxy)-2-ethylcyclohexane.

Molecular Properties

Compound Name1-(3-bromopropoxy)-2-ethylcyclohexane
PubChem CID43135438
Molecular FormulaC11H21BrO
Molecular Weight249.19 g/mol
Exact Mass248.08
IUPAC Name1-(3-bromopropoxy)-2-ethylcyclohexane
SMILESCCC1CCCCC1OCCCBr
InChIInChI=1S/C11H21BrO/c1-2-10-6-3-4-7-11(10)13-9-5-8-12/h10-11H,2-9H2,1H3
InChIKeyPJAXZJHGROZXKZ-UHFFFAOYSA-N
XLogP3.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 53.76
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

1-(4-bromobutoxy)-2-propylcyclohexane
CID 139649149
1-(5-chloropentoxy)-2-ethylcyclohexane
CID 43348434
1-(6-chlorohexoxy)-2-ethylcyclohexane
CID 63499299
N-[3-(2-ethylcyclohexyl)oxypropyl]-2-methylpropan-2-amine
CID 62444924
3-(2-ethylcyclohexyl)oxypropanal
CID 63041156
2-[2-(2-ethylcyclohexyl)oxyethyl]cyclopentan-1-ol
CID 79563747
1-[2-(bromomethyl)butoxy]-2-ethylcyclohexane
CID 64994566
1-bromo-4-[2-(2-ethylcyclohexyl)oxyethoxy]benzene
CID 55192995
1-[[1-(bromomethyl)cyclopentyl]methoxy]-2-ethylcyclohexane
CID 65001029
3-(2-ethylcyclohexyl)oxypropanimidamide
CID 24694801
1,2-dibutoxycyclohexane
CID 24962665
ethyl 3-(2-ethylcyclohexyl)oxypropanoate
CID 43365260

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromopropoxy)-2-ethylcyclohexane?
The IUPAC name of 1-(3-bromopropoxy)-2-ethylcyclohexane (CID 43135438) is 1-(3-bromopropoxy)-2-ethylcyclohexane.
What is the SMILES notation for 1-(3-bromopropoxy)-2-ethylcyclohexane?
The canonical SMILES for 1-(3-bromopropoxy)-2-ethylcyclohexane is CCC1CCCCC1OCCCBr.
What is the InChIKey of 1-(3-bromopropoxy)-2-ethylcyclohexane?
The InChIKey is PJAXZJHGROZXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrO/c1-2-10-6-3-4-7-11(10)13-9-5-8-12/h10-11H,2-9H2,1H3.
What are the key properties of 1-(3-bromopropoxy)-2-ethylcyclohexane?
1-(3-bromopropoxy)-2-ethylcyclohexane has a molecular weight of 249.19 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromopropoxy)-2-ethylcyclohexane is sourced from PubChem (CID 43135438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).