2-(bromomethyl)-2-cyclopropyl-4-methyloxolane

C9H15BrO — CID 165445837

IUPAC2-(bromomethyl)-2-cyclopropyl-4-methyloxolane
SMILESCC1COC(CBr)(C2CC2)C1
InChIInChI=1S/C9H15BrO/c1-7-4-9(6-10,11-5-7)8-2-3-8/h7-8H,2-6H2,1H3
InChIKeyCPBYFDDPSZQARF-UHFFFAOYSA-N
MW219.12 g/mol
LogP2.59
Rot. Bonds2

About 2-(bromomethyl)-2-cyclopropyl-4-methyloxolane

2-(bromomethyl)-2-cyclopropyl-4-methyloxolane (PubChem CID 165445837) has the molecular formula C9H15BrO and a molecular weight of 219.12 g/mol. Its IUPAC name is 2-(bromomethyl)-2-cyclopropyl-4-methyloxolane.

Molecular Properties

Compound Name2-(bromomethyl)-2-cyclopropyl-4-methyloxolane
PubChem CID165445837
Molecular FormulaC9H15BrO
Molecular Weight219.12 g/mol
Exact Mass218.03
IUPAC Name2-(bromomethyl)-2-cyclopropyl-4-methyloxolane
SMILESCC1COC(CBr)(C2CC2)C1
InChIInChI=1S/C9H15BrO/c1-7-4-9(6-10,11-5-7)8-2-3-8/h7-8H,2-6H2,1H3
InChIKeyCPBYFDDPSZQARF-UHFFFAOYSA-N
XLogP2.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.12
LogP ≤ 52.59
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

2,2-diethyl-5-methyl-1,3-dioxane
CID 59269402
CID 174094547
CID 174094547
2-cyclopropyl-2-ethyloxan-4-ol
CID 64919382
3-methyl-1-oxaspiro[4.5]decan-8-ol
CID 70367589
ethane;6-methyl-1-oxaspiro[3.4]octane
CID 144986625
(6S)-6-methyl-4-oxaspiro[2.5]octane
CID 153270450
3-(2-ethoxy-4-methyloxolan-2-yl)propan-1-ol
CID 163533132
5-(2-bromoethyl)-2,2-diethyl-1,3-dioxane
CID 68906149
[1-(bromomethyl)-2-methylcyclopropyl]methylcyclopentane
CID 165445764
ethane;(3R)-3-methyl-1-oxaspiro[5.5]undecane
CID 176680246
2-cyclopropyl-2-ethyl-6-methylmorpholine
CID 65122619
ethane;methylcyclopropane
CID 158329065

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-2-cyclopropyl-4-methyloxolane?
The IUPAC name of 2-(bromomethyl)-2-cyclopropyl-4-methyloxolane (CID 165445837) is 2-(bromomethyl)-2-cyclopropyl-4-methyloxolane.
What is the SMILES notation for 2-(bromomethyl)-2-cyclopropyl-4-methyloxolane?
The canonical SMILES for 2-(bromomethyl)-2-cyclopropyl-4-methyloxolane is CC1COC(CBr)(C2CC2)C1.
What is the InChIKey of 2-(bromomethyl)-2-cyclopropyl-4-methyloxolane?
The InChIKey is CPBYFDDPSZQARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrO/c1-7-4-9(6-10,11-5-7)8-2-3-8/h7-8H,2-6H2,1H3.
What are the key properties of 2-(bromomethyl)-2-cyclopropyl-4-methyloxolane?
2-(bromomethyl)-2-cyclopropyl-4-methyloxolane has a molecular weight of 219.12 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-2-cyclopropyl-4-methyloxolane is sourced from PubChem (CID 165445837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).