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

C8H15BrO — CID 59426770

IUPAC(4R,5R)-2-bromo-5-ethyl-3,4-dimethyloxolane
SMILESCC[C@H]1OC(Br)C(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?/m1/s1
InChIKeyMUZZEUPXQJLQCN-RYVOCIFZSA-N
MW207.11 g/mol
LogP2.79
Rot. Bonds1

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

(4R,5R)-2-bromo-5-ethyl-3,4-dimethyloxolane (PubChem CID 59426770) has the molecular formula C8H15BrO and a molecular weight of 207.11 g/mol. Its IUPAC name is (4R,5R)-2-bromo-5-ethyl-3,4-dimethyloxolane.

Molecular Properties

Compound Name(4R,5R)-2-bromo-5-ethyl-3,4-dimethyloxolane
PubChem CID59426770
Molecular FormulaC8H15BrO
Molecular Weight207.11 g/mol
Exact Mass206.03
IUPAC Name(4R,5R)-2-bromo-5-ethyl-3,4-dimethyloxolane
SMILESCC[C@H]1OC(Br)C(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?/m1/s1
InChIKeyMUZZEUPXQJLQCN-RYVOCIFZSA-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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Related Compounds

2-bromo-5-ethyl-3-(18F)fluoro-4-methyloxolane
CID 59976757
[(3R,4S,5S,6R)-3-acetyloxy-2-bromo-6-ethyl-5-methyloxan-4-yl] acetate
CID 157456207
(2S,3S)-2-ethyl-3,4,5-trimethyloxolane
CID 59088156
(3S,4R,6S)-2-ethyl-3,4,5,6-tetramethyloxane
CID 91273556
(3S,6S)-2-ethyl-3,4,5,6-tetramethyloxane
CID 91456258
(2S,3R,4S,5S,6R)-2-ethyl-3,4,5,6-tetramethyloxane
CID 59944457
(3R,4S,6S)-2-ethyl-3,4,5,6-tetramethyloxane
CID 90919001
CID 23594186
CID 23594186
(2S,3R,5S)-5-ethyl-3,4-dimethyloxolan-2-ol
CID 59063589
actinium;(2S,3R,5S)-5-ethyl-3,4-dimethyloxolan-2-ol
CID 59063588
(3R,5R)-2-ethyl-3,4,5-trimethyl-6-propan-2-yloxane
CID 122599287
5-ethyl-3,6-dimethyl-3a,5,6,6a-tetrahydro-3H-furo[3,2-c]oxathiole 1,1-dioxide
CID 154558058

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-2-bromo-5-ethyl-3,4-dimethyloxolane?
The IUPAC name of (4R,5R)-2-bromo-5-ethyl-3,4-dimethyloxolane (CID 59426770) is (4R,5R)-2-bromo-5-ethyl-3,4-dimethyloxolane.
What is the SMILES notation for (4R,5R)-2-bromo-5-ethyl-3,4-dimethyloxolane?
The canonical SMILES for (4R,5R)-2-bromo-5-ethyl-3,4-dimethyloxolane is CC[C@H]1OC(Br)C(C)[C@H]1C.
What is the InChIKey of (4R,5R)-2-bromo-5-ethyl-3,4-dimethyloxolane?
The InChIKey is MUZZEUPXQJLQCN-RYVOCIFZSA-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?/m1/s1.
What are the key properties of (4R,5R)-2-bromo-5-ethyl-3,4-dimethyloxolane?
(4R,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 (4R,5R)-2-bromo-5-ethyl-3,4-dimethyloxolane is sourced from PubChem (CID 59426770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).