5-[bromo(cyclohexylidene)methyl]oxolan-2-one

C11H15BrO2 — CID 135028408

IUPAC5-[bromo(cyclohexylidene)methyl]oxolan-2-one
SMILESO=C1CCC(C(Br)=C2CCCCC2)O1
InChIInChI=1S/C11H15BrO2/c12-11(8-4-2-1-3-5-8)9-6-7-10(13)14-9/h9H,1-7H2
InChIKeyZNGIBZUZHFLNTK-UHFFFAOYSA-N
MW259.14 g/mol
LogP3.31
Rot. Bonds1

About 5-[bromo(cyclohexylidene)methyl]oxolan-2-one

5-[bromo(cyclohexylidene)methyl]oxolan-2-one (PubChem CID 135028408) has the molecular formula C11H15BrO2 and a molecular weight of 259.14 g/mol. Its IUPAC name is 5-[bromo(cyclohexylidene)methyl]oxolan-2-one.

Molecular Properties

Compound Name5-[bromo(cyclohexylidene)methyl]oxolan-2-one
PubChem CID135028408
Molecular FormulaC11H15BrO2
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC Name5-[bromo(cyclohexylidene)methyl]oxolan-2-one
SMILESO=C1CCC(C(Br)=C2CCCCC2)O1
InChIInChI=1S/C11H15BrO2/c12-11(8-4-2-1-3-5-8)9-6-7-10(13)14-9/h9H,1-7H2
InChIKeyZNGIBZUZHFLNTK-UHFFFAOYSA-N
XLogP3.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 53.31
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
(5R)-5-[bromo(cyclohexylidene)methyl]oxolan-2-one
CID 101896531
5-[(E)-1-bromo-3-methylbut-1-enyl]oxolan-2-one
CID 134900567
[(1R)-2-bromo-3-methylcyclopent-2-en-1-yl] acetate
CID 10943961
5-[(Z)-1-bromo-3-methylbut-1-enyl]oxolan-2-one
CID 15851608
5-(1-Bromohept-1-enyl)oxolan-2-one
CID 57359500
(5R)-5-(1-bromo-2-methylprop-1-enyl)oxolan-2-one
CID 98618006
5-[(E)-1-bromo-2-methylbut-1-enyl]oxolan-2-one
CID 101084483
3-bromo-2,4-dipropyl-2H-furan-5-one
CID 101720319

Frequently Asked Questions

What is the IUPAC name of 5-[bromo(cyclohexylidene)methyl]oxolan-2-one?
The IUPAC name of 5-[bromo(cyclohexylidene)methyl]oxolan-2-one (CID 135028408) is 5-[bromo(cyclohexylidene)methyl]oxolan-2-one.
What is the SMILES notation for 5-[bromo(cyclohexylidene)methyl]oxolan-2-one?
The canonical SMILES for 5-[bromo(cyclohexylidene)methyl]oxolan-2-one is O=C1CCC(C(Br)=C2CCCCC2)O1.
What is the InChIKey of 5-[bromo(cyclohexylidene)methyl]oxolan-2-one?
The InChIKey is ZNGIBZUZHFLNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO2/c12-11(8-4-2-1-3-5-8)9-6-7-10(13)14-9/h9H,1-7H2.
What are the key properties of 5-[bromo(cyclohexylidene)methyl]oxolan-2-one?
5-[bromo(cyclohexylidene)methyl]oxolan-2-one has a molecular weight of 259.14 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bromo(cyclohexylidene)methyl]oxolan-2-one is sourced from PubChem (CID 135028408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).