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

C8H15BrS — CID 102642157

IUPAC3-(bromomethyl)-3-methyl-5-methylsulfanylpent-1-ene
SMILESC=CC(C)(CBr)CCSC
InChIInChI=1S/C8H15BrS/c1-4-8(2,7-9)5-6-10-3/h4H,1,5-7H2,2-3H3
InChIKeyQUSRMMYUYDTDGJ-UHFFFAOYSA-N
MW223.18 g/mol
LogP3.33
Rot. Bonds5

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

3-(bromomethyl)-3-methyl-5-methylsulfanylpent-1-ene (PubChem CID 102642157) has the molecular formula C8H15BrS and a molecular weight of 223.18 g/mol. Its IUPAC name is 3-(bromomethyl)-3-methyl-5-methylsulfanylpent-1-ene.

Molecular Properties

Compound Name3-(bromomethyl)-3-methyl-5-methylsulfanylpent-1-ene
PubChem CID102642157
Molecular FormulaC8H15BrS
Molecular Weight223.18 g/mol
Exact Mass222.01
IUPAC Name3-(bromomethyl)-3-methyl-5-methylsulfanylpent-1-ene
SMILESC=CC(C)(CBr)CCSC
InChIInChI=1S/C8H15BrS/c1-4-8(2,7-9)5-6-10-3/h4H,1,5-7H2,2-3H3
InChIKeyQUSRMMYUYDTDGJ-UHFFFAOYSA-N
XLogP3.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.18
LogP ≤ 53.33
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 3-(bromomethyl)-3-methyl-5-methylsulfanylpent-1-ene?
The IUPAC name of 3-(bromomethyl)-3-methyl-5-methylsulfanylpent-1-ene (CID 102642157) is 3-(bromomethyl)-3-methyl-5-methylsulfanylpent-1-ene.
What is the SMILES notation for 3-(bromomethyl)-3-methyl-5-methylsulfanylpent-1-ene?
The canonical SMILES for 3-(bromomethyl)-3-methyl-5-methylsulfanylpent-1-ene is C=CC(C)(CBr)CCSC.
What is the InChIKey of 3-(bromomethyl)-3-methyl-5-methylsulfanylpent-1-ene?
The InChIKey is QUSRMMYUYDTDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BrS/c1-4-8(2,7-9)5-6-10-3/h4H,1,5-7H2,2-3H3.
What are the key properties of 3-(bromomethyl)-3-methyl-5-methylsulfanylpent-1-ene?
3-(bromomethyl)-3-methyl-5-methylsulfanylpent-1-ene has a molecular weight of 223.18 g/mol, XLogP of 3.33, 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-methylsulfanylpent-1-ene is sourced from PubChem (CID 102642157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).