3-[2-(bromomethyl)butoxymethyl]oxolane

C10H19BrO2 — CID 64995288

IUPAC3-[2-(bromomethyl)butoxymethyl]oxolane
SMILESCCC(CBr)COCC1CCOC1
InChIInChI=1S/C10H19BrO2/c1-2-9(5-11)6-13-8-10-3-4-12-7-10/h9-10H,2-8H2,1H3
InChIKeyFNQFIAHHLXODIY-UHFFFAOYSA-N
MW251.16 g/mol
LogP2.46
Rot. Bonds6

About 3-[2-(bromomethyl)butoxymethyl]oxolane

3-[2-(bromomethyl)butoxymethyl]oxolane (PubChem CID 64995288) has the molecular formula C10H19BrO2 and a molecular weight of 251.16 g/mol. Its IUPAC name is 3-[2-(bromomethyl)butoxymethyl]oxolane.

Molecular Properties

Compound Name3-[2-(bromomethyl)butoxymethyl]oxolane
PubChem CID64995288
Molecular FormulaC10H19BrO2
Molecular Weight251.16 g/mol
Exact Mass250.06
IUPAC Name3-[2-(bromomethyl)butoxymethyl]oxolane
SMILESCCC(CBr)COCC1CCOC1
InChIInChI=1S/C10H19BrO2/c1-2-9(5-11)6-13-8-10-3-4-12-7-10/h9-10H,2-8H2,1H3
InChIKeyFNQFIAHHLXODIY-UHFFFAOYSA-N
XLogP2.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.16
LogP ≤ 52.46
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

1-(oxolan-3-ylmethoxy)butan-2-ol
CID 62040870
2-(bromomethyl)butoxymethylcyclohexane
CID 64995107
2-(oxan-4-ylmethoxymethyl)butane-1-sulfonamide
CID 64998872
2-methyl-3-(oxolan-3-ylmethoxy)propanoic acid
CID 114995904
ethyl 2-methyl-3-(oxolan-3-ylmethoxy)propanoate
CID 115001681
2-[2-(bromomethyl)butoxy]ethylcyclopropane
CID 106201198
ethane;3-(methoxymethyl)oxolane
CID 143285946
1-cyclopentyl-N-methyl-2-(oxolan-3-ylmethoxy)ethanamine
CID 104749258
N-methyl-1-(oxolan-3-yl)-2-(oxolan-3-ylmethoxy)ethanamine
CID 104749257
1-(oxan-4-ylmethoxy)butan-2-ol
CID 62383429
3-(2-bromoprop-2-enoxymethyl)oxolane
CID 131211912
3-ethyloxolane
CID 10996972

Frequently Asked Questions

What is the IUPAC name of 3-[2-(bromomethyl)butoxymethyl]oxolane?
The IUPAC name of 3-[2-(bromomethyl)butoxymethyl]oxolane (CID 64995288) is 3-[2-(bromomethyl)butoxymethyl]oxolane.
What is the SMILES notation for 3-[2-(bromomethyl)butoxymethyl]oxolane?
The canonical SMILES for 3-[2-(bromomethyl)butoxymethyl]oxolane is CCC(CBr)COCC1CCOC1.
What is the InChIKey of 3-[2-(bromomethyl)butoxymethyl]oxolane?
The InChIKey is FNQFIAHHLXODIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrO2/c1-2-9(5-11)6-13-8-10-3-4-12-7-10/h9-10H,2-8H2,1H3.
What are the key properties of 3-[2-(bromomethyl)butoxymethyl]oxolane?
3-[2-(bromomethyl)butoxymethyl]oxolane has a molecular weight of 251.16 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(bromomethyl)butoxymethyl]oxolane is sourced from PubChem (CID 64995288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).