3-(bromomethyl)-3-ethyl-2-methyloxolane

C8H15BrO — CID 114535961

IUPAC3-(bromomethyl)-3-ethyl-2-methyloxolane
SMILESCCC1(CBr)CCOC1C
InChIInChI=1S/C8H15BrO/c1-3-8(6-9)4-5-10-7(8)2/h7H,3-6H2,1-2H3
InChIKeySZWXDTQZSNBVGP-UHFFFAOYSA-N
MW207.11 g/mol
LogP2.59
Rot. Bonds2

About 3-(bromomethyl)-3-ethyl-2-methyloxolane

3-(bromomethyl)-3-ethyl-2-methyloxolane (PubChem CID 114535961) has the molecular formula C8H15BrO and a molecular weight of 207.11 g/mol. Its IUPAC name is 3-(bromomethyl)-3-ethyl-2-methyloxolane.

Molecular Properties

Compound Name3-(bromomethyl)-3-ethyl-2-methyloxolane
PubChem CID114535961
Molecular FormulaC8H15BrO
Molecular Weight207.11 g/mol
Exact Mass206.03
IUPAC Name3-(bromomethyl)-3-ethyl-2-methyloxolane
SMILESCCC1(CBr)CCOC1C
InChIInChI=1S/C8H15BrO/c1-3-8(6-9)4-5-10-7(8)2/h7H,3-6H2,1-2H3
InChIKeySZWXDTQZSNBVGP-UHFFFAOYSA-N
XLogP2.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.11
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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Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-3-ethyl-2-methyloxolane?
The IUPAC name of 3-(bromomethyl)-3-ethyl-2-methyloxolane (CID 114535961) is 3-(bromomethyl)-3-ethyl-2-methyloxolane.
What is the SMILES notation for 3-(bromomethyl)-3-ethyl-2-methyloxolane?
The canonical SMILES for 3-(bromomethyl)-3-ethyl-2-methyloxolane is CCC1(CBr)CCOC1C.
What is the InChIKey of 3-(bromomethyl)-3-ethyl-2-methyloxolane?
The InChIKey is SZWXDTQZSNBVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BrO/c1-3-8(6-9)4-5-10-7(8)2/h7H,3-6H2,1-2H3.
What are the key properties of 3-(bromomethyl)-3-ethyl-2-methyloxolane?
3-(bromomethyl)-3-ethyl-2-methyloxolane has a molecular weight of 207.11 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 3-(bromomethyl)-3-ethyl-2-methyloxolane is sourced from PubChem (CID 114535961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).