3-(bromomethyl)-3-methyl-5-propan-2-ylsulfonylpent-1-ene

C10H19BrO2S — CID 106734733

IUPAC3-(bromomethyl)-3-methyl-5-propan-2-ylsulfonylpent-1-ene
SMILESC=CC(C)(CBr)CCS(=O)(=O)C(C)C
InChIInChI=1S/C10H19BrO2S/c1-5-10(4,8-11)6-7-14(12,13)9(2)3/h5,9H,1,6-8H2,2-4H3
InChIKeySSJNAEIVEVOYTP-UHFFFAOYSA-N
MW283.23 g/mol
LogP2.79
Rot. Bonds6

About 3-(bromomethyl)-3-methyl-5-propan-2-ylsulfonylpent-1-ene

3-(bromomethyl)-3-methyl-5-propan-2-ylsulfonylpent-1-ene (PubChem CID 106734733) has the molecular formula C10H19BrO2S and a molecular weight of 283.23 g/mol. Its IUPAC name is 3-(bromomethyl)-3-methyl-5-propan-2-ylsulfonylpent-1-ene.

Molecular Properties

Compound Name3-(bromomethyl)-3-methyl-5-propan-2-ylsulfonylpent-1-ene
PubChem CID106734733
Molecular FormulaC10H19BrO2S
Molecular Weight283.23 g/mol
Exact Mass282.03
IUPAC Name3-(bromomethyl)-3-methyl-5-propan-2-ylsulfonylpent-1-ene
SMILESC=CC(C)(CBr)CCS(=O)(=O)C(C)C
InChIInChI=1S/C10H19BrO2S/c1-5-10(4,8-11)6-7-14(12,13)9(2)3/h5,9H,1,6-8H2,2-4H3
InChIKeySSJNAEIVEVOYTP-UHFFFAOYSA-N
XLogP2.79
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.23
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(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)-6-ethylsulfonyl-3-methylhex-1-ene
CID 102642325
3-(Bromomethyl)-5-tert-butylsulfonyl-3-methylpent-1-ene
CID 106734732
3-(Bromomethyl)-3-methyl-5-propylsulfonylpent-1-ene
CID 106734734
3-(Bromomethyl)-5-methanesulfinyl-3-methylpent-1-ene
CID 165442449

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-3-methyl-5-propan-2-ylsulfonylpent-1-ene?
The IUPAC name of 3-(bromomethyl)-3-methyl-5-propan-2-ylsulfonylpent-1-ene (CID 106734733) is 3-(bromomethyl)-3-methyl-5-propan-2-ylsulfonylpent-1-ene.
What is the SMILES notation for 3-(bromomethyl)-3-methyl-5-propan-2-ylsulfonylpent-1-ene?
The canonical SMILES for 3-(bromomethyl)-3-methyl-5-propan-2-ylsulfonylpent-1-ene is C=CC(C)(CBr)CCS(=O)(=O)C(C)C.
What is the InChIKey of 3-(bromomethyl)-3-methyl-5-propan-2-ylsulfonylpent-1-ene?
The InChIKey is SSJNAEIVEVOYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrO2S/c1-5-10(4,8-11)6-7-14(12,13)9(2)3/h5,9H,1,6-8H2,2-4H3.
What are the key properties of 3-(bromomethyl)-3-methyl-5-propan-2-ylsulfonylpent-1-ene?
3-(bromomethyl)-3-methyl-5-propan-2-ylsulfonylpent-1-ene has a molecular weight of 283.23 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-3-methyl-5-propan-2-ylsulfonylpent-1-ene is sourced from PubChem (CID 106734733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).