3-(bromomethyl)-3-methyl-5-methylsulfinylpent-1-ene

C8H15BrOS — CID 165442449

IUPAC3-(bromomethyl)-3-methyl-5-methylsulfinylpent-1-ene
SMILESC=CC(C)(CBr)CCS(C)=O
InChIInChI=1S/C8H15BrOS/c1-4-8(2,7-9)5-6-11(3)10/h4H,1,5-7H2,2-3H3
InChIKeyXTVILNCAEJWCPZ-UHFFFAOYSA-N
MW239.18 g/mol
LogP2.34
Rot. Bonds5

About 3-(bromomethyl)-3-methyl-5-methylsulfinylpent-1-ene

3-(bromomethyl)-3-methyl-5-methylsulfinylpent-1-ene (PubChem CID 165442449) has the molecular formula C8H15BrOS and a molecular weight of 239.18 g/mol. Its IUPAC name is 3-(bromomethyl)-3-methyl-5-methylsulfinylpent-1-ene.

Molecular Properties

Compound Name3-(bromomethyl)-3-methyl-5-methylsulfinylpent-1-ene
PubChem CID165442449
Molecular FormulaC8H15BrOS
Molecular Weight239.18 g/mol
Exact Mass238.00
IUPAC Name3-(bromomethyl)-3-methyl-5-methylsulfinylpent-1-ene
SMILESC=CC(C)(CBr)CCS(C)=O
InChIInChI=1S/C8H15BrOS/c1-4-8(2,7-9)5-6-11(3)10/h4H,1,5-7H2,2-3H3
InChIKeyXTVILNCAEJWCPZ-UHFFFAOYSA-N
XLogP2.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.18
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,3-Dimethyl-5-methylsulfinylpent-1-ene
CID 123410455
3-(Bromomethyl)-3-methyl-5-(methylsulfanyl)pent-1-ene
CID 102642157
3-(Bromomethyl)-5-ethylsulfonyl-3-methylpent-1-ene
CID 102642167
3-(Bromomethyl)-5-methanesulfonyl-3-methylpent-1-ene
CID 102642229
3-(Bromomethyl)-3-methyl-6-methylsulfonylhex-1-ene
CID 102642235
3-(Bromomethyl)-5-(ethylsulfanyl)-3-methylpent-1-ene
CID 102642266
3-(Bromomethyl)-5-tert-butylsulfonyl-3-methylpent-1-ene
CID 106734732
3-(Bromomethyl)-3-methyl-5-propan-2-ylsulfonylpent-1-ene
CID 106734733
3-(Bromomethyl)-3-methyl-5-propylsulfonylpent-1-ene
CID 106734734
4-(Bromomethyl)-6-methanesulfinylhex-1-ene
CID 165444105
3-(Bromomethyl)-3-methyl-5-(propan-2-ylsulfanyl)pent-1-ene
CID 165740249

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-3-methyl-5-methylsulfinylpent-1-ene?
The IUPAC name of 3-(bromomethyl)-3-methyl-5-methylsulfinylpent-1-ene (CID 165442449) is 3-(bromomethyl)-3-methyl-5-methylsulfinylpent-1-ene.
What is the SMILES notation for 3-(bromomethyl)-3-methyl-5-methylsulfinylpent-1-ene?
The canonical SMILES for 3-(bromomethyl)-3-methyl-5-methylsulfinylpent-1-ene is C=CC(C)(CBr)CCS(C)=O.
What is the InChIKey of 3-(bromomethyl)-3-methyl-5-methylsulfinylpent-1-ene?
The InChIKey is XTVILNCAEJWCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BrOS/c1-4-8(2,7-9)5-6-11(3)10/h4H,1,5-7H2,2-3H3.
What are the key properties of 3-(bromomethyl)-3-methyl-5-methylsulfinylpent-1-ene?
3-(bromomethyl)-3-methyl-5-methylsulfinylpent-1-ene has a molecular weight of 239.18 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-3-methyl-5-methylsulfinylpent-1-ene is sourced from PubChem (CID 165442449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).