2-(bromomethyl)-5-cyclopropyloxolane

C8H13BrO — CID 130582466

IUPAC2-(bromomethyl)-5-cyclopropyloxolane
SMILESBrCC1CCC(C2CC2)O1
InChIInChI=1S/C8H13BrO/c9-5-7-3-4-8(10-7)6-1-2-6/h6-8H,1-5H2
InChIKeyIGQMQDHXHDDNLT-UHFFFAOYSA-N
MW205.09 g/mol
LogP2.34
Rot. Bonds2

About 2-(bromomethyl)-5-cyclopropyloxolane

2-(bromomethyl)-5-cyclopropyloxolane (PubChem CID 130582466) has the molecular formula C8H13BrO and a molecular weight of 205.09 g/mol. Its IUPAC name is 2-(bromomethyl)-5-cyclopropyloxolane.

Molecular Properties

Compound Name2-(bromomethyl)-5-cyclopropyloxolane
PubChem CID130582466
Molecular FormulaC8H13BrO
Molecular Weight205.09 g/mol
Exact Mass204.01
IUPAC Name2-(bromomethyl)-5-cyclopropyloxolane
SMILESBrCC1CCC(C2CC2)O1
InChIInChI=1S/C8H13BrO/c9-5-7-3-4-8(10-7)6-1-2-6/h6-8H,1-5H2
InChIKeyIGQMQDHXHDDNLT-UHFFFAOYSA-N
XLogP2.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.09
LogP ≤ 52.34
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-[1-(Bromomethyl)cyclopropyl]oxolane
CID 137949005
2-[2-(Bromomethyl)butyl]oxolane
CID 66041849
2-(Cyclopropylmethyl)oxolane
CID 57067840
2-(4-Bromo-3-methylbutyl)oxolane
CID 64670594
[5-(1-Bromo-3-methylbutyl)oxolan-2-ylidene]osmium
CID 142087673
(2S)-2-(cyclopropylmethyl)oxolane
CID 146558196
(2R,5R)-2-(bromomethyl)-5-cyclohexyloxolane
CID 23635966
(3R)-2-(bromomethyl)-3-octyloxolane
CID 57523026
2-(3-Bromo-4-methylpentyl)oxolane
CID 62550188
2-(3-Bromo-3-cyclopropylpropyl)oxolane
CID 63358360
2-(4-Bromo-5-methylhexyl)oxolane
CID 64507641
3-(3-Bromo-3-cyclopropylpropyl)oxolane
CID 64508095

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-5-cyclopropyloxolane?
The IUPAC name of 2-(bromomethyl)-5-cyclopropyloxolane (CID 130582466) is 2-(bromomethyl)-5-cyclopropyloxolane.
What is the SMILES notation for 2-(bromomethyl)-5-cyclopropyloxolane?
The canonical SMILES for 2-(bromomethyl)-5-cyclopropyloxolane is BrCC1CCC(C2CC2)O1.
What is the InChIKey of 2-(bromomethyl)-5-cyclopropyloxolane?
The InChIKey is IGQMQDHXHDDNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrO/c9-5-7-3-4-8(10-7)6-1-2-6/h6-8H,1-5H2.
What are the key properties of 2-(bromomethyl)-5-cyclopropyloxolane?
2-(bromomethyl)-5-cyclopropyloxolane has a molecular weight of 205.09 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-5-cyclopropyloxolane is sourced from PubChem (CID 130582466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).