(5R)-5-(1-bromo-2-methylprop-1-enyl)oxolan-2-one

C8H11BrO2 — CID 98618006

IUPAC(5R)-5-(1-bromo-2-methylprop-1-enyl)oxolan-2-one
SMILESCC(C)=C(Br)[C@H]1CCC(=O)O1
InChIInChI=1S/C8H11BrO2/c1-5(2)8(9)6-3-4-7(10)11-6/h6H,3-4H2,1-2H3/t6-/m1/s1
InChIKeyNNEMXBUGARDHBX-ZCFIWIBFSA-N
MW219.08 g/mol
LogP2.38
Rot. Bonds1

About (5R)-5-(1-bromo-2-methylprop-1-enyl)oxolan-2-one

(5R)-5-(1-bromo-2-methylprop-1-enyl)oxolan-2-one (PubChem CID 98618006) has the molecular formula C8H11BrO2 and a molecular weight of 219.08 g/mol. Its IUPAC name is (5R)-5-(1-bromo-2-methylprop-1-enyl)oxolan-2-one.

Molecular Properties

Compound Name(5R)-5-(1-bromo-2-methylprop-1-enyl)oxolan-2-one
PubChem CID98618006
Molecular FormulaC8H11BrO2
Molecular Weight219.08 g/mol
Exact Mass217.99
IUPAC Name(5R)-5-(1-bromo-2-methylprop-1-enyl)oxolan-2-one
SMILESCC(C)=C(Br)[C@H]1CCC(=O)O1
InChIInChI=1S/C8H11BrO2/c1-5(2)8(9)6-3-4-7(10)11-6/h6H,3-4H2,1-2H3/t6-/m1/s1
InChIKeyNNEMXBUGARDHBX-ZCFIWIBFSA-N
XLogP2.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.08
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Bromo-3-butyl-5-methyl-2(5h)-furanone
CID 11776138
5-[(Z)-1-bromo-2-methylbut-1-enyl]oxolan-2-one
CID 10944337
5-[(Z)-1-bromohept-1-enyl]oxolan-2-one
CID 11832179
5-(1-Bromo-2-methylprop-1-enyl)oxolan-2-one
CID 12748180
5-(2-Methylprop-1-enyl)oxolan-2-one
CID 14202322
(5S)-5-(2-methylprop-1-enyl)oxolan-2-one
CID 16753095
(5R)-5-[bromo(cyclohexylidene)methyl]oxolan-2-one
CID 101896531
5-[(E)-1-bromo-3-methylbut-1-enyl]oxolan-2-one
CID 134900567
5-[Bromo(cyclohexylidene)methyl]oxolan-2-one
CID 135028408
3-bromo-4-(1-bromobutyl)-2-methyl-2H-furan-5-one
CID 5324132
5-Methyl-3-propan-2-ylideneoxolan-2-one
CID 10898796
(2R)-3-bromo-4-[(1S)-1-bromobutyl]-2-methyl-2H-furan-5-one
CID 15939136

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(1-bromo-2-methylprop-1-enyl)oxolan-2-one?
The IUPAC name of (5R)-5-(1-bromo-2-methylprop-1-enyl)oxolan-2-one (CID 98618006) is (5R)-5-(1-bromo-2-methylprop-1-enyl)oxolan-2-one.
What is the SMILES notation for (5R)-5-(1-bromo-2-methylprop-1-enyl)oxolan-2-one?
The canonical SMILES for (5R)-5-(1-bromo-2-methylprop-1-enyl)oxolan-2-one is CC(C)=C(Br)[C@H]1CCC(=O)O1.
What is the InChIKey of (5R)-5-(1-bromo-2-methylprop-1-enyl)oxolan-2-one?
The InChIKey is NNEMXBUGARDHBX-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H11BrO2/c1-5(2)8(9)6-3-4-7(10)11-6/h6H,3-4H2,1-2H3/t6-/m1/s1.
What are the key properties of (5R)-5-(1-bromo-2-methylprop-1-enyl)oxolan-2-one?
(5R)-5-(1-bromo-2-methylprop-1-enyl)oxolan-2-one has a molecular weight of 219.08 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(1-bromo-2-methylprop-1-enyl)oxolan-2-one is sourced from PubChem (CID 98618006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).