4-(bromomethyl)-6-methylsulfinylhex-1-ene

C8H15BrOS — CID 165444105

IUPAC4-(bromomethyl)-6-methylsulfinylhex-1-ene
SMILESC=CCC(CBr)CCS(C)=O
InChIInChI=1S/C8H15BrOS/c1-3-4-8(7-9)5-6-11(2)10/h3,8H,1,4-7H2,2H3
InChIKeyGAPOPHGCJWYSBA-UHFFFAOYSA-N
MW239.18 g/mol
LogP2.34
Rot. Bonds6

About 4-(bromomethyl)-6-methylsulfinylhex-1-ene

4-(bromomethyl)-6-methylsulfinylhex-1-ene (PubChem CID 165444105) has the molecular formula C8H15BrOS and a molecular weight of 239.18 g/mol. Its IUPAC name is 4-(bromomethyl)-6-methylsulfinylhex-1-ene.

Molecular Properties

Compound Name4-(bromomethyl)-6-methylsulfinylhex-1-ene
PubChem CID165444105
Molecular FormulaC8H15BrOS
Molecular Weight239.18 g/mol
Exact Mass238.00
IUPAC Name4-(bromomethyl)-6-methylsulfinylhex-1-ene
SMILESC=CCC(CBr)CCS(C)=O
InChIInChI=1S/C8H15BrOS/c1-3-4-8(7-9)5-6-11(2)10/h3,8H,1,4-7H2,2H3
InChIKeyGAPOPHGCJWYSBA-UHFFFAOYSA-N
XLogP2.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-6-methylsulfinylhex-1-ene?
The IUPAC name of 4-(bromomethyl)-6-methylsulfinylhex-1-ene (CID 165444105) is 4-(bromomethyl)-6-methylsulfinylhex-1-ene.
What is the SMILES notation for 4-(bromomethyl)-6-methylsulfinylhex-1-ene?
The canonical SMILES for 4-(bromomethyl)-6-methylsulfinylhex-1-ene is C=CCC(CBr)CCS(C)=O.
What is the InChIKey of 4-(bromomethyl)-6-methylsulfinylhex-1-ene?
The InChIKey is GAPOPHGCJWYSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BrOS/c1-3-4-8(7-9)5-6-11(2)10/h3,8H,1,4-7H2,2H3.
What are the key properties of 4-(bromomethyl)-6-methylsulfinylhex-1-ene?
4-(bromomethyl)-6-methylsulfinylhex-1-ene has a molecular weight of 239.18 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-6-methylsulfinylhex-1-ene is sourced from PubChem (CID 165444105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).