1-bromo-2-[3-(2-methoxyethoxy)propyl]-4-propylcyclohexane

C15H29BrO2 — CID 103411900

IUPAC1-bromo-2-[3-(2-methoxyethoxy)propyl]-4-propylcyclohexane
SMILESCCCC1CCC(Br)C(CCCOCCOC)C1
InChIInChI=1S/C15H29BrO2/c1-3-5-13-7-8-15(16)14(12-13)6-4-9-18-11-10-17-2/h13-15H,3-12H2,1-2H3
InChIKeyUVODYLFXBHLREW-UHFFFAOYSA-N
MW321.30 g/mol
LogP4.41
Rot. Bonds9

About 1-bromo-2-[3-(2-methoxyethoxy)propyl]-4-propylcyclohexane

1-bromo-2-[3-(2-methoxyethoxy)propyl]-4-propylcyclohexane (PubChem CID 103411900) has the molecular formula C15H29BrO2 and a molecular weight of 321.30 g/mol. Its IUPAC name is 1-bromo-2-[3-(2-methoxyethoxy)propyl]-4-propylcyclohexane.

Molecular Properties

Compound Name1-bromo-2-[3-(2-methoxyethoxy)propyl]-4-propylcyclohexane
PubChem CID103411900
Molecular FormulaC15H29BrO2
Molecular Weight321.30 g/mol
Exact Mass320.14
IUPAC Name1-bromo-2-[3-(2-methoxyethoxy)propyl]-4-propylcyclohexane
SMILESCCCC1CCC(Br)C(CCCOCCOC)C1
InChIInChI=1S/C15H29BrO2/c1-3-5-13-7-8-15(16)14(12-13)6-4-9-18-11-10-17-2/h13-15H,3-12H2,1-2H3
InChIKeyUVODYLFXBHLREW-UHFFFAOYSA-N
XLogP4.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

2-[3-(2-methoxyethoxy)propyl]-4-propylcyclohexan-1-amine
CID 103410732
N-ethyl-2-[3-(2-methoxyethoxy)propyl]-4-propylcyclohexan-1-amine
CID 103410736
2-[3-(2-methoxyethoxy)propyl]-N,4-dipropylcyclohexan-1-amine
CID 103410737
1-bromo-4-ethyl-2-(4-methoxybutyl)cyclohexane
CID 104649056
1-bromo-4-ethyl-2-pentylcyclohexane
CID 63472989
1-bromo-3-[3-(2-methoxyethoxy)propyl]cycloheptane
CID 103413859
1-chloro-2-(2-propoxyethyl)-4-propylcyclohexane
CID 106456004
2-[3-(2-methoxyethoxy)propyl]cyclobutan-1-amine
CID 103415817
1-bromo-4-tert-butyl-2-[2-(3-methoxypropoxy)ethyl]cyclohexane
CID 103182513
4-ethyl-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexan-1-amine
CID 104564608
2-(3-ethoxypropyl)-N,4-dipropylcyclohexan-1-amine
CID 65180818
4-ethyl-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexan-1-ol
CID 104565820

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[3-(2-methoxyethoxy)propyl]-4-propylcyclohexane?
The IUPAC name of 1-bromo-2-[3-(2-methoxyethoxy)propyl]-4-propylcyclohexane (CID 103411900) is 1-bromo-2-[3-(2-methoxyethoxy)propyl]-4-propylcyclohexane.
What is the SMILES notation for 1-bromo-2-[3-(2-methoxyethoxy)propyl]-4-propylcyclohexane?
The canonical SMILES for 1-bromo-2-[3-(2-methoxyethoxy)propyl]-4-propylcyclohexane is CCCC1CCC(Br)C(CCCOCCOC)C1.
What is the InChIKey of 1-bromo-2-[3-(2-methoxyethoxy)propyl]-4-propylcyclohexane?
The InChIKey is UVODYLFXBHLREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29BrO2/c1-3-5-13-7-8-15(16)14(12-13)6-4-9-18-11-10-17-2/h13-15H,3-12H2,1-2H3.
What are the key properties of 1-bromo-2-[3-(2-methoxyethoxy)propyl]-4-propylcyclohexane?
1-bromo-2-[3-(2-methoxyethoxy)propyl]-4-propylcyclohexane has a molecular weight of 321.30 g/mol, XLogP of 4.41, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[3-(2-methoxyethoxy)propyl]-4-propylcyclohexane is sourced from PubChem (CID 103411900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).