2-[(2,2-dibromo-1-methylcyclopropyl)methoxy]oxane

C10H16Br2O2 — CID 14172524

IUPAC2-[(2,2-dibromo-1-methylcyclopropyl)methoxy]oxane
SMILESCC1(COC2CCCCO2)CC1(Br)Br
InChIInChI=1S/C10H16Br2O2/c1-9(6-10(9,11)12)7-14-8-4-2-3-5-13-8/h8H,2-7H2,1H3
InChIKeyRXZNADUXYYIQJR-UHFFFAOYSA-N
MW328.04 g/mol
LogP3.43
Rot. Bonds3

About 2-[(2,2-dibromo-1-methylcyclopropyl)methoxy]oxane

2-[(2,2-dibromo-1-methylcyclopropyl)methoxy]oxane (PubChem CID 14172524) has the molecular formula C10H16Br2O2 and a molecular weight of 328.04 g/mol. Its IUPAC name is 2-[(2,2-dibromo-1-methylcyclopropyl)methoxy]oxane.

Molecular Properties

Compound Name2-[(2,2-dibromo-1-methylcyclopropyl)methoxy]oxane
PubChem CID14172524
Molecular FormulaC10H16Br2O2
Molecular Weight328.04 g/mol
Exact Mass325.95
IUPAC Name2-[(2,2-dibromo-1-methylcyclopropyl)methoxy]oxane
SMILESCC1(COC2CCCCO2)CC1(Br)Br
InChIInChI=1S/C10H16Br2O2/c1-9(6-10(9,11)12)7-14-8-4-2-3-5-13-8/h8H,2-7H2,1H3
InChIKeyRXZNADUXYYIQJR-UHFFFAOYSA-N
XLogP3.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.04
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-methyloxiran-2-yl)methoxy]oxane
CID 71425923
2-[(1,4-dimethylcyclohexyl)methoxy]oxane
CID 15471073
1-(oxan-2-yloxymethyl)cyclobutan-1-ol
CID 175776398
2-[(2-methyl-2-bicyclo[2.2.1]hept-5-enyl)methoxy]oxane
CID 22336746
(2R)-2-[[1-(iodomethyl)cyclopropyl]methoxy]oxane
CID 125486239
magnesium;2-ethoxyoxane;dichloride
CID 158421621
tert-butyl 1-(oxan-2-yloxymethyl)cyclopropane-1-carboxylate
CID 143065428
trimethyl-[4-(oxan-2-yloxy)butoxy]silane
CID 11218840
2-[(E)-4-(oxan-2-yloxy)but-2-enoxy]oxane
CID 14103518
ethane;2-(oxan-2-yloxy)ethanol
CID 143259213
2-(12-bromododecoxy)oxane
CID 11078592
2-ethoxyoxane;ethoxy(trimethyl)silane;methane
CID 159715846

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dibromo-1-methylcyclopropyl)methoxy]oxane?
The IUPAC name of 2-[(2,2-dibromo-1-methylcyclopropyl)methoxy]oxane (CID 14172524) is 2-[(2,2-dibromo-1-methylcyclopropyl)methoxy]oxane.
What is the SMILES notation for 2-[(2,2-dibromo-1-methylcyclopropyl)methoxy]oxane?
The canonical SMILES for 2-[(2,2-dibromo-1-methylcyclopropyl)methoxy]oxane is CC1(COC2CCCCO2)CC1(Br)Br.
What is the InChIKey of 2-[(2,2-dibromo-1-methylcyclopropyl)methoxy]oxane?
The InChIKey is RXZNADUXYYIQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16Br2O2/c1-9(6-10(9,11)12)7-14-8-4-2-3-5-13-8/h8H,2-7H2,1H3.
What are the key properties of 2-[(2,2-dibromo-1-methylcyclopropyl)methoxy]oxane?
2-[(2,2-dibromo-1-methylcyclopropyl)methoxy]oxane has a molecular weight of 328.04 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dibromo-1-methylcyclopropyl)methoxy]oxane is sourced from PubChem (CID 14172524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).