(3S,4S,5R)-2-bromo-5-ethyl-3,4-dimethyloxolane

C8H15BrO — CID 118119197

IUPAC(3S,4S,5R)-2-bromo-5-ethyl-3,4-dimethyloxolane
SMILESCC[C@H]1OC(Br)[C@@H](C)[C@@H]1C
InChIInChI=1S/C8H15BrO/c1-4-7-5(2)6(3)8(9)10-7/h5-8H,4H2,1-3H3/t5-,6-,7+,8?/m0/s1
InChIKeyMUZZEUPXQJLQCN-QBARFFCXSA-N
MW207.11 g/mol
LogP2.79
Rot. Bonds1

About (3S,4S,5R)-2-bromo-5-ethyl-3,4-dimethyloxolane

(3S,4S,5R)-2-bromo-5-ethyl-3,4-dimethyloxolane (PubChem CID 118119197) has the molecular formula C8H15BrO and a molecular weight of 207.11 g/mol. Its IUPAC name is (3S,4S,5R)-2-bromo-5-ethyl-3,4-dimethyloxolane.

Molecular Properties

Compound Name(3S,4S,5R)-2-bromo-5-ethyl-3,4-dimethyloxolane
PubChem CID118119197
Molecular FormulaC8H15BrO
Molecular Weight207.11 g/mol
Exact Mass206.03
IUPAC Name(3S,4S,5R)-2-bromo-5-ethyl-3,4-dimethyloxolane
SMILESCC[C@H]1OC(Br)[C@@H](C)[C@@H]1C
InChIInChI=1S/C8H15BrO/c1-4-7-5(2)6(3)8(9)10-7/h5-8H,4H2,1-3H3/t5-,6-,7+,8?/m0/s1
InChIKeyMUZZEUPXQJLQCN-QBARFFCXSA-N
XLogP2.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.11
LogP ≤ 52.79
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 (3S,4S,5R)-2-bromo-5-ethyl-3,4-dimethyloxolane?
The IUPAC name of (3S,4S,5R)-2-bromo-5-ethyl-3,4-dimethyloxolane (CID 118119197) is (3S,4S,5R)-2-bromo-5-ethyl-3,4-dimethyloxolane.
What is the SMILES notation for (3S,4S,5R)-2-bromo-5-ethyl-3,4-dimethyloxolane?
The canonical SMILES for (3S,4S,5R)-2-bromo-5-ethyl-3,4-dimethyloxolane is CC[C@H]1OC(Br)[C@@H](C)[C@@H]1C.
What is the InChIKey of (3S,4S,5R)-2-bromo-5-ethyl-3,4-dimethyloxolane?
The InChIKey is MUZZEUPXQJLQCN-QBARFFCXSA-N. The full InChI is InChI=1S/C8H15BrO/c1-4-7-5(2)6(3)8(9)10-7/h5-8H,4H2,1-3H3/t5-,6-,7+,8?/m0/s1.
What are the key properties of (3S,4S,5R)-2-bromo-5-ethyl-3,4-dimethyloxolane?
(3S,4S,5R)-2-bromo-5-ethyl-3,4-dimethyloxolane has a molecular weight of 207.11 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5R)-2-bromo-5-ethyl-3,4-dimethyloxolane is sourced from PubChem (CID 118119197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).