2-[2-(bromomethyl)butoxy]ethylcyclopropane

C10H19BrO — CID 106201198

IUPAC2-[2-(bromomethyl)butoxy]ethylcyclopropane
SMILESCCC(CBr)COCCC1CC1
InChIInChI=1S/C10H19BrO/c1-2-9(7-11)8-12-6-5-10-3-4-10/h9-10H,2-8H2,1H3
InChIKeyIBCSJGGLFGZUQG-UHFFFAOYSA-N
MW235.16 g/mol
LogP3.22
Rot. Bonds7

About 2-[2-(bromomethyl)butoxy]ethylcyclopropane

2-[2-(bromomethyl)butoxy]ethylcyclopropane (PubChem CID 106201198) has the molecular formula C10H19BrO and a molecular weight of 235.16 g/mol. Its IUPAC name is 2-[2-(bromomethyl)butoxy]ethylcyclopropane.

Molecular Properties

Compound Name2-[2-(bromomethyl)butoxy]ethylcyclopropane
PubChem CID106201198
Molecular FormulaC10H19BrO
Molecular Weight235.16 g/mol
Exact Mass234.06
IUPAC Name2-[2-(bromomethyl)butoxy]ethylcyclopropane
SMILESCCC(CBr)COCCC1CC1
InChIInChI=1S/C10H19BrO/c1-2-9(7-11)8-12-6-5-10-3-4-10/h9-10H,2-8H2,1H3
InChIKeyIBCSJGGLFGZUQG-UHFFFAOYSA-N
XLogP3.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 53.22
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-bromo-2-(2-ethoxyethoxymethyl)butane
CID 64995451
1-bromo-2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxymethyl]butane
CID 104561219
2-(bromomethyl)butoxymethylcyclohexane
CID 64995107
1-(2-cyclopropylethoxy)propan-2-amine
CID 106200486
(2S)-1-(2-cyclopropylethoxy)propan-2-ol
CID 106203926
3-[2-(bromomethyl)butoxymethyl]oxolane
CID 64995288
2-(2-cyclopropylethoxymethyl)pentane-1-sulfonyl chloride
CID 106206659
1-bromo-2-(2,2-difluoroethoxymethyl)butane
CID 82004964
3-(2-cyclopropylethoxy)-2-methylpropan-1-amine
CID 106203362
3-(2-cyclopropylethoxy)-2-ethoxypropan-1-amine
CID 106200247
2-(bromomethyl)butoxycycloheptane
CID 64995040
3-ethylpentylcyclopropane
CID 91030831

Frequently Asked Questions

What is the IUPAC name of 2-[2-(bromomethyl)butoxy]ethylcyclopropane?
The IUPAC name of 2-[2-(bromomethyl)butoxy]ethylcyclopropane (CID 106201198) is 2-[2-(bromomethyl)butoxy]ethylcyclopropane.
What is the SMILES notation for 2-[2-(bromomethyl)butoxy]ethylcyclopropane?
The canonical SMILES for 2-[2-(bromomethyl)butoxy]ethylcyclopropane is CCC(CBr)COCCC1CC1.
What is the InChIKey of 2-[2-(bromomethyl)butoxy]ethylcyclopropane?
The InChIKey is IBCSJGGLFGZUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrO/c1-2-9(7-11)8-12-6-5-10-3-4-10/h9-10H,2-8H2,1H3.
What are the key properties of 2-[2-(bromomethyl)butoxy]ethylcyclopropane?
2-[2-(bromomethyl)butoxy]ethylcyclopropane has a molecular weight of 235.16 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(bromomethyl)butoxy]ethylcyclopropane is sourced from PubChem (CID 106201198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).